SCHEMBL12228917

SCHEMBL12228917

CN1CCC2(CCN(CC(C)(C)C)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.32
TSHR P16473 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12228919 0.91 USP2 (0.45) CYP1A2CYP2D6USP2TSHRCYP3A4
SCHEMBL12228916 0.90 CYP1A2 (0.34) CYP1A2CYP2D6USP2ALOX15TSHR
SCHEMBL17946597 0.90 CYP1A2 (0.33) CYP1A2CYP2D6ALOX15TSHR
SCHEMBL12228921 0.88 TSHR (0.33) CYP1A2CYP2D6ALOX15TSHROPRM1
SCHEMBL12228922 0.88 CYP2D6 (0.37) CYP1A2CYP2D6ALOX15TSHR
SCHEMBL26455582 0.85 TSHR (0.36) CYP1A2CYP2D6ALOX15TSHR
SCHEMBL26455588 0.83 CYP2D6 (0.37) CYP1A2CYP2D6ALOX15TSHR
SCHEMBL12228920 0.82 USP2 (0.41) CYP1A2CYP2D6USP2TSHRCYP3A4
SCHEMBL18385740 0.81 TSHR (0.36) CYP1A2CYP2D6ALOX15TSHROPRM1
SCHEMBL24842172 0.81 CYP2D6 (0.36) CYP1A2CYP2D6ALOX15TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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 (3 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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 CYP1A2 4662/4885CYP2D6 4600/4885USP2 1705/4885
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 CYP1A2 4234/4885CYP2D6 4495/4885USP2 2161/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 CYP1A2 4719/4885CYP2D6 4835/4885USP2 2388/4885

“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.