SCHEMBL1753502

SCHEMBL1753502

CN1CC2(CCNCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 6/20 0.42
HPGD P15428 4/20 0.42
CYP1A2 P05177 6/20 0.41
CYP2D6 P10635 9/20 0.39
USP2 O75604 7/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2C9 P11712 3/20 0.39
MAPK1 P28482 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 1/20 0.35
CYP2C19 P33261 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Hydrochloric Acid SCHEMBL21058874 0.97 TSHR (0.42) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL18912039 0.91 TSHR (0.38) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL3810524 0.84
SCHEMBL1753673 0.82 CYP2D6 (0.41) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL1298944 0.80 TSHR (0.44) TSHRALDH1A1HSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL27007071 0.80 TSHR (0.44) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL30105777 0.79
SCHEMBL7711019 0.79 CYP2D6 (0.50) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL16573817 0.78
SCHEMBL24717358 0.78 CYP2D6 (0.36) TSHRALDH1A1HSD17B10HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 US claimed
US-12606566-B2 Substituted cyclopenta[4,5]pyrrolo[1,2-a]pyrazines as bruton's tyrosine kinase inhibitors SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2026-04-21 US disclosed
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-25 US disclosed
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 WO disclosed
WO-2025151478-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2025-07-17 WO disclosed
WO-2025151549-A1 PYRIDO[3,2-B]INDOLE-3-CARBONITRILE COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2025-07-17 WO disclosed
US-20250223300-A1 MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
EP-4559920-A1 MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2025-05-28 EP disclosed
CN-115715291-B Bruton tyrosine kinase inhibitor and preparation method thereof 上海华汇拓医药科技有限公司 2025-04-29 CN disclosed
CN-119522227-A Macrocyclic compounds, pharmaceutical compositions and uses thereof 贝达药业股份有限公司 2025-02-25 CN disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
WO-2009091856-A2 BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2009-07-23 WO disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008068265-A1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
EP-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP 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 (6 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-12606566-B2 Substituted cyclopenta[4,5]pyrrolo[1,2-a]pyrazines as bruton's tyrosine kinase inhibitors BTK, LYN, SYK TSHR 710/4885ALDH1A1 4530/4885HSD17B10 3355/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R TSHR 388/4885ALDH1A1 281/4885HSD17B10 484/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R TSHR 400/4885ALDH1A1 2836/4885HSD17B10 4106/4885
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors ALK, TGFBR1, ACVR1 TSHR 1137/4885ALDH1A1 742/4885HSD17B10 3973/4885
US-20250223300-A1 MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF EGFR, ERBB3, ERBB2 TSHR 3065/4885ALDH1A1 3526/4885HSD17B10 1834/4885
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 TSHR 3904/4885ALDH1A1 421/4885HSD17B10 2347/4885

“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.