SCHEMBL19197802

SCHEMBL19197802

CCCCCCCCCCCCn1cc(C(N)(CO)CO)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 1.00
GBA1 P04062 12/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
EPHX2 P34913 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDR P35968 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23064221 1.00 SMPD1 (1.00) SMPD1GBA1S1PR1S1PR3EPHX2
SCHEMBL25329590 1.00 SMPD1 (1.00) SMPD1GBA1S1PR1S1PR3EPHX2
SCHEMBL25329230 1.00 SMPD1 (1.00) SMPD1GBA1S1PR1S1PR3EPHX2
SCHEMBL23064315 1.00 SMPD1 (1.00) SMPD1GBA1S1PR1S1PR3EPHX2
SCHEMBL23064217 1.00 SMPD1 (1.00) SMPD1GBA1S1PR1S1PR3EPHX2
SCHEMBL23064212 1.00 SMPD1 (1.00) SMPD1GBA1S1PR1S1PR3EPHX2
Hydrochloric Acid SCHEMBL23064241 0.99 SMPD1 (0.97) SMPD1GBA1S1PR1S1PR3EPHX2
Hydrochloric Acid SCHEMBL29521395 0.99 SMPD1 (0.97) SMPD1GBA1S1PR1S1PR3EPHX2
SCHEMBL21641693 0.94 SMPD1 (0.89) SMPD1GBA1S1PR1S1PR3HRH4
SCHEMBL29520868 0.83 SMPD1 (0.71) SMPD1GBA1HRH4HRH3KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4606373-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALOPECIA AREATA BY ACTING AS FUNCTIONAL INHIBITOR AGAINST S1PR1 AND S1PR4 Nextgen Bioscience Co., Ltd. (KR) 2025-08-27 EP claimed
CN-116669575-B Use of triazole compounds as gastric somatostatin receptor agonists 庆北大学校产学协力团 2025-04-04 CN claimed
EP-4496625-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASE ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 Nextgen Bioscience Co., Ltd. (KR) 2025-01-29 EP claimed
CN-118234492-A Pharmaceutical composition for preventing or treating alopecia areata with function of functional inhibitor for S1PR1 and S1PR4 次代生物科学株式会社 2024-06-21 CN claimed
US-20240148698-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALOPECIA AREATA ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-05-09 US claimed
WO-2024085417-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALOPECIA AREATA BY ACTING AS FUNCTIONAL INHIBITOR AGAINST S1PR1 AND S1PR4 주식회사 넥스트젠바이오사이언스 2024-04-25 WO claimed
US-11957665-B1 Pharmaceutical composition for preventing or treating alopecia areata acting as a functional antagonist for S1PR1 and S1PR4 NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-04-16 US claimed
US-20240041836-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASE ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-02-08 US claimed
CN-117396199-A Pharmaceutical composition for preventing or treating inflammatory bowel disease as a functional antagonist of S1PR1 and S1PR4 次代生物科学株式会社 2024-01-12 CN claimed
WO-2023224362-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF RADIATION-INDUCED PULMONARY FIBROSIS, ACTING AS FUNCTIONAL ANTAGONIST OF S1PR1 AND S1PR4 주식회사 넥스트젠바이오사이언스 2023-11-23 WO claimed
US-20230339869-A1 USE OF TRIAZOLE COMPOUND AS GHRELIN RECEPTOR AGONIST KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-10-26 US claimed
WO-2023182572-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASE ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE CO., LTD. (KR) 2023-09-28 WO claimed
CN-116669575-A Use of triazole compounds as gastric somatostatin receptor agonists 庆北大学校产学协力团 2023-08-29 CN claimed
EP-4218757-A1 USE OF TRIAZOLE COMPOUND AS GHRELIN RECEPTOR AGONIST Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2023-08-02 EP claimed
WO-2023043024-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INTERSTITIAL FIBROSIS AND TUBULAR ATROPHY AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE (KR) 2023-03-23 WO claimed
WO-2023042996-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING FOCAL SEGMENTAL GLOMERULOSCLEROSIS ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE (KR) 2023-03-23 WO claimed
EP-4714468-A1 METHOD FOR ADMINISTERING MODULATOR TARGETING S1PR1 AND S1PR4 Nextgen Bioscience Co., Ltd. (KR) 2026-03-25 EP disclosed
US-12570617-B2 Use of triazole compound as ghrelin receptor agonist KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-03-10 US disclosed
US-9724334-B1 Method for treating a neurodegenerative disease or depression comprising administering derivatives of 2-amino-2-(1-dodecyl-1H-1,2,3-triazol-4-yl)propane-1,3-diol KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-08-08 US disclosed
US-9724334-B1 Method for treating a neurodegenerative disease or depression comprising administering derivatives of 2-amino-2-(1-dodecyl-1H-1,2,3-triazol-4-yl)propane-1,3-diol KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-08-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240041836-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASE ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 S1PR4, S1PR1, S1PR3 SMPD1 16/4885GBA1 826/4885S1PR1 2/4885
US-20240148698-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALOPECIA AREATA ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 S1PR5, S1PR4, S1PR1 SMPD1 20/4885GBA1 1980/4885S1PR1 3/4885
US-12570617-B2 Use of triazole compound as ghrelin receptor agonist GIPR, GLP1R, GCGR SMPD1 4733/4885GBA1 4198/4885S1PR1 2774/4885
US-20230339869-A1 USE OF TRIAZOLE COMPOUND AS GHRELIN RECEPTOR AGONIST GIPR, GPR119, GLP1R SMPD1 4043/4885GBA1 3908/4885S1PR1 1181/4885
US-11957665-B1 Pharmaceutical composition for preventing or treating alopecia areata acting as a functional antagonist for S1PR1 and S1PR4 S1PR4, S1PR5, S1PR1 SMPD1 24/4885GBA1 1657/4885S1PR1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.