SCHEMBL13866403

SCHEMBL13866403

CNC1CCCCC1NCC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16978964 0.91 SMN1; SMN2 (0.34) SSTR3SMN1; SMN2HSD17B10
SCHEMBL25825627 0.78 TSHR (0.36) SMN1; SMN2
SCHEMBL15315437 0.77 HTR1A (0.39) SMN1; SMN2HSD17B10
SCHEMBL21799915 0.77 ANPEP (0.42)
SCHEMBL15315438 0.77 ANPEP (0.42)
SCHEMBL2745491 0.75 ALDH1A1 (0.32) HSD17B10
SCHEMBL145249 0.75 ALDH1A1 (0.32) HSD17B10
SCHEMBL145251 0.75 ALDH1A1 (0.32) HSD17B10
SCHEMBL30327955 0.75 ALDH1A1 (0.32) HSD17B10
SCHEMBL113491 0.75 ALDH1A1 (0.32) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093452-A1 Pyrrole, Thiophene, Furan, Imidazole, Oxazole, and Thiazole Derivatives PFIZER INC. 2009-04-09 US disclosed
US-20090093452-A1 Pyrrole, Thiophene, Furan, Imidazole, Oxazole, and Thiazole Derivatives PFIZER INC. 2009-04-09 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070930-A1 Pyrimidine and Pyrazine Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070930-A1 Pyrimidine and Pyrazine Derivatives SERENEX, INC. 2008-03-20 US disclosed
WO-2008024980-A2 PYRROLE, THIOPHENE, FURAN, IMIDAZOLE, OXAZOLE, AND THIAZOLE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024974-A1 PYRIMIDINE AND PYRAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (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-20080070930-A1 Pyrimidine and Pyrazine Derivatives P2RX7, P2RX5, P2RX3 SSTR3 732/4885SMN1; SMN2 3098/4885HSD17B10 4160/4885
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives QDPR, CCND2, CCND1 SSTR3 3115/4885SMN1; SMN2 4029/4885HSD17B10 355/4885
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 SSTR3 2178/4885SMN1; SMN2 3893/4885HSD17B10 3768/4885
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 SSTR3 2234/4885SMN1; SMN2 3593/4885HSD17B10 3184/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 SSTR3 3249/4885SMN1; SMN2 2840/4885HSD17B10 3567/4885
US-20090093452-A1 Pyrrole, Thiophene, Furan, Imidazole, Oxazole, and Thiazole Derivatives JAK3, JAK2, FLT4 SSTR3 324/4885SMN1; SMN2 3904/4885HSD17B10 3627/4885

“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.