SCHEMBL3604131

SCHEMBL3604131

CCCN1CCc2ccc(N(C)C)cc2C1C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.37
DRD1 P21728 2/20 0.37
HTR1A P08908 8/20 0.37
HTR7 P34969 2/20 0.37
HTR2A P28223 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
DRD3 P35462 3/20 0.33
KCNK3 O14649 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3612962 0.87 HTR1A (0.39) DRD2DRD1HTR1AHTR7PPARG
SCHEMBL3613409 0.84 DRD2 (0.30) DRD2DRD1
SCHEMBL3609202 0.81 PPARD (0.42) DRD2DRD1HTR2APPARGPPARD
SCHEMBL3614238 0.78 ROCK2 (0.37)
SCHEMBL3609022 0.76 PPARD (0.43) DRD2DRD1PPARGPPARDPPARA
SCHEMBL3613299 0.73 RORC (0.33)
SCHEMBL3610528 0.73 GHSR (0.30) PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL3613472 0.73 RORC (0.33)
Hydrochloric Acid SCHEMBL3602849 0.73 RORC (0.36)
SCHEMBL3612843 0.72 GHSR (0.35) PPARGPPARDPPARALMNA

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-7737148-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-06-15 US disclosed
US-7157462-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-01-02 US disclosed
US-20050059671-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2005-03-17 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-20050059671-A1 Therapeutic agents useful for treating pain OPRL1, OPRK1, ARRB1 DRD2 96/4885DRD1 171/4885HTR1A 20/4885

“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.