SCHEMBL1333525

SCHEMBL1333525

c1ccc([C@@H]2COCCN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PRCP P42785 2/20 0.40
TSHR P16473 1/20 0.40
CTSK P43235 1/20 0.39
TACR1 P25103 2/20 0.39
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
METTL3 Q86U44 1/20 0.35
GID4 Q8IVV7 1/20 0.35
ADRA2A P08913 2/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL1333528 1.00 PRKACA (0.49) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL1335278 1.00 PRKACA (0.49) PRKACAPRKACGPRKACBSLC6A2ADRA1A
Hydrochloric Acid SCHEMBL1849039 0.98 PRKACA (0.48) PRKACAPRKACGPRKACBSLC6A2ADRA1A
Trifluoroacetic Acid SCHEMBL14829349 0.86 KDM1A (0.44) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL14839568 0.85 KCNH2 (0.43) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL2602789 0.82 SLC6A2 (0.44) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL280628 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBPRCPCTSK
Hydrochloric Acid SCHEMBL537239 0.81 SLC6A2 (0.43) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL22589151 0.81 CHRNA7 (0.47) PRKACAPRKACGPRKACBSLC6A2SLC6A3
SCHEMBL21717791 0.81 MAPT (0.44) PRKACAPRKACGPRKACBCTSKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1049431-C Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 2000-02-16 CN claimed
EP-4747245-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2026-05-27 EP disclosed
US-20250019373-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES VORONOI INC. (KR) 2025-01-16 US disclosed
EP-4050005-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-12-25 EP disclosed
EP-4421077-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES Voronoi Inc. (KR) 2024-08-28 EP disclosed
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2024-03-21 US disclosed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
US-11807646-B2 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin specific protease 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-11-07 US disclosed
EP-4219500-A1 CONDENSED HETEROCYCLIC COMPOUND Nissan Chemical Corporation (JP) 2023-08-02 EP disclosed
CN-115806550-A Bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2023-03-17 CN disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US disclosed
EP-1448555-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-08-25 EP disclosed
WO-2003045941-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-06-05 WO disclosed
CN-1075812-C Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 2001-12-05 CN disclosed
CN-1049431-C Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 2000-02-16 CN disclosed
CN-1147254-A Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 1997-04-09 CN disclosed
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP disclosed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO 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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT PRKACA 1785/4885PRKACG 1554/4885PRKACB 1031/4885
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND SPR, QDPR, SUCNR1 PRKACA 4079/4885PRKACG 3939/4885PRKACB 4095/4885
US-11807646-B2 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin specific protease 19 (USP19) USP19, USP16, USP18 PRKACA 3663/4885PRKACG 3730/4885PRKACB 3711/4885
US-20250019373-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES RIPK1, RIPK2, RIPK3 PRKACA 147/4885PRKACG 250/4885PRKACB 210/4885
US-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 PRKACA 2529/4885PRKACG 3129/4885PRKACB 2969/4885

“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.