SCHEMBL1481541

SCHEMBL1481541

CCCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
DRD2 P14416 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
NLRP3 Q96P20 2/20 0.42
AGER Q15109 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ARRB1 P49407 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1481539 1.00 CNR1 (0.44) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1481634 0.94 DRD2 (0.43) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1481635 0.94 DRD2 (0.43) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1480807 0.94 DRD2 (0.46) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1480805 0.94 DRD2 (0.46) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1481436 0.93 CNR1 (0.42) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1481438 0.93 CNR1 (0.42) CNR1DRD2MAPTPOLBNLRP3
SCHEMBL1481425 0.92 RARB (0.42) CNR1AGERSMN1; SMN2
SCHEMBL1481424 0.92 RARB (0.42) CNR1AGERSMN1; SMN2
SCHEMBL1481054 0.92 DRD2 (0.42) CNR1DRD2MAPTPOLBNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ CNR1 3369/4885DRD2 4864/4885MAPT 3558/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE CNR1 3344/4885DRD2 4873/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CNR1 3344/4885DRD2 4873/4885MAPT 3251/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ CNR1 3369/4885DRD2 4864/4885MAPT 3558/4885

“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.