SCHEMBL7967652

SCHEMBL7967652

Nc1ccc2c(c1)CCCCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
STS P08842 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL20776763 1.00 HSD17B10 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL21033028 1.00 HSD17B10 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL4684525 1.00 HSD17B10 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL18410108 1.00 HSD17B10 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL21765305 1.00 HSD17B10 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL264473 0.97 ADRA2A (0.47) HSD17B10CASP1CASP7ADRA2AADRA2B
Hydrochloric Acid SCHEMBL8980397 0.95 ADRA2A (0.45) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL29779691 0.92 CA12 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
SCHEMBL42805 0.92 CA12 (0.48) HSD17B10CASP1CASP7ADRA2AADRA2B
Hydrochloric Acid SCHEMBL2476978 0.90 CA12 (0.47) HSD17B10CASP1CASP7ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20170267648-A1 SUBSTITUTED URACILS AS CHYMASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-21 US disclosed
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 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 (2 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-20170267648-A1 SUBSTITUTED URACILS AS CHYMASE INHIBITORS CMA1, UNG, TYMP HSD17B10 2920/4885CASP1 1692/4885CASP7 2592/4885
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP HSD17B10 2481/4885CASP1 1846/4885CASP7 1156/4885

“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.