SCHEMBL5494480

SCHEMBL5494480

Cc1ccc2c(c1)N(C(C)C)CCN2C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.37
▸ NOTUM Q6P988 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CRHR1 P34998 1/20 0.33
▸ SRD5A1 P18405 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL21008360 0.89 ALDH1A1 (0.37) HSD17B10NOTUMALDH1A1CRHR1SRD5A1
SCHEMBL19454489 0.88 HSD17B10 (0.37) HSD17B10NOTUMALDH1A1SLC6A2MAPT
SCHEMBL13180881 0.79 NOTUM (0.51) NOTUMALDH1A1SRD5A1SLC6A2MEN1
SCHEMBL10092850 0.79 ALDH1A1 (0.46) HSD17B10NOTUMALDH1A1SLC6A2TSHR
SCHEMBL12356968 0.76 ALDH1A1 (0.55) NOTUMALDH1A1SRD5A1MAPTMEN1
SCHEMBL5490885 0.76 ALDH1A1 (0.55) NOTUMALDH1A1MEN1TSHRKMT2A
SCHEMBL1106902 0.75 CYP2D6 (0.39) TSHR
SCHEMBL6177638 0.75 ALDH1A1 (0.49) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL18329549 0.74 MAPT (0.43) HSD17B10ALDH1A1MAPTMEN1TSHR
SCHEMBL14376017 0.74 PIK3CB (0.38) HSD17B10ALDH1A1MAPTMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226940-B2 Substituted heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. (US) 2007-06-05 — — US disclosed
US-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-01-05 — — US disclosed
US-6974826-B2 Imidazolidinedione derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2005-12-13 — — US disclosed
EP-1593677-A2 Benzylidene-thiazolidinediones and analogues and their use in the treatment of diabetes Incyte San Diego Incorporated (US) 2005-11-09 — — EP disclosed
EP-1214304-B1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES INCYTE SAN DIEGO INC (US) 2005-08-24 — — EP disclosed
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. 2005-03-31 — — US disclosed
EP-1421061-A4 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INC (US) 2004-12-22 — — EP disclosed
US-6765013-B2 ANTIPROLIFERATIVE AGENTS FOR TREATING ADIPOCYTE DIFFERENTIATION, CANCER, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CROHN'S DISEASE OR INFLAMMATORY BOWEL DISEASE INCYTE SAN DIEGO 2004-07-20 — — US disclosed
EP-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 — — EP disclosed
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases MAXIA PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 — — US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 — — WO disclosed
US-6515003-B1 Useful in the treatment of diseases related to lipid and carbohydrate metabolism MAXIA PHARMACEUTICALS, INC. 2003-02-04 — — 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 (4 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-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases FABP4, HPGDS, GPR119 HSD17B10 48/4885NOTUM 2109/4885ALDH1A1 293/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 HSD17B10 21/4885NOTUM 436/4885ALDH1A1 643/4885
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, PPARG, CPT2 HSD17B10 23/4885NOTUM 2491/4885ALDH1A1 65/4885
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, GPR119, IL2 HSD17B10 36/4885NOTUM 2594/4885ALDH1A1 280/4885

“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.

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