SCHEMBL8057972

SCHEMBL8057972

C=Cc1ccc(C2=CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.59
QDPR P09417 3/20 0.59
SIGMAR1 Q99720 2/20 0.59
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.40
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1882237 0.76 ALDH1A1 (0.52) ALDH1A1
SCHEMBL3899585 0.75 SIGMAR1 (0.92) HTR2CQDPRSIGMAR1ALDH1A1NAMPT
SCHEMBL8380936 0.75 QDPR (1.00) HTR2CQDPRSIGMAR1NAMPT
SCHEMBL531984 0.75 SIGMAR1 (1.00) HTR2CQDPRSIGMAR1HTR2AHTR6
SCHEMBL4671168 0.75 HTR2C (0.66) HTR2CQDPRSIGMAR1ALDH1A1HTR2A
SCHEMBL19998281 0.75 HTR2C (0.66) HTR2CQDPRSIGMAR1ALDH1A1NAMPT
SCHEMBL5603685 0.75 HTR2C (0.66) HTR2CQDPRSIGMAR1NAMPTHTR6
SCHEMBL1199051 0.75 HTR2C (1.00) HTR2CQDPRSIGMAR1NAMPTHTR2A
SCHEMBL532892 0.75 HTR2C (0.66) HTR2CQDPRSIGMAR1HTR2AHTR6
SCHEMBL8310253 0.75 HTR2C (0.66) HTR2CQDPRSIGMAR1ALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 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-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 HTR2C 822/4885QDPR 68/4885SIGMAR1 486/4885

“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.