SCHEMBL13501697

SCHEMBL13501697

O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.54
SPR P35270 1/20 0.47
RAB9A P51151 1/20 0.46
AVPR1A P37288 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SCD O00767 2/20 0.44
CCR5 P51681 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TP53 P04637 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL3542867 0.94 SCD5 (0.63) SCD5SPRRAB9ASCDHCRTR1
SCHEMBL30394996 0.87 HTR2C (0.47) SCD5RAB9AALDH1A1TSHRHTT
SCHEMBL3542433 0.87 SCD5 (0.56) SCD5SPRRAB9AALDH1A1HTT
SCHEMBL3550082 0.86 SCD5 (0.55) SCD5SPRRAB9ASCDHCRTR1
SCHEMBL30395468 0.86 RAB9A (0.45) SCD5RAB9AALDH1A1TSHRHTT
SCHEMBL3544586 0.86 SCD5 (0.54) SCD5SPRRAB9AALDH1A1SCD
SCHEMBL3544990 0.86 SCD5 (0.54) SCD5SPRRAB9ATSHRSCD
SCHEMBL3545291 0.85 SCD5 (0.50) SCD5RAB9AALDH1A1TSHRHTT
SCHEMBL3543167 0.85 SPR (0.55) SCD5SPRSCDHCRTR1HCRTR2
SCHEMBL13501698 0.84 CYP2C9 (0.65) SPRHTTCYP2C9CYP2C19HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (1 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 SCD5 1155/4885SPR 256/4885RAB9A 2914/4885

“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.