SCHEMBL21276348

SCHEMBL21276348

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
GPR183 P32249 5/20 0.53
RORC P51449 1/20 0.52
CYP2D6 P10635 7/20 0.51
CYP3A4 P08684 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 3/20 0.49
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL30620506 0.90 GPR183 (0.52) MGLLGPR183RORCCYP2D6CYP3A4
SCHEMBL1426231 0.89 CYP2D6 (0.64) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20556708 0.89 ERN1 (0.56) MGLLGPR183RORCCYP2D6CYP3A4
SCHEMBL31565342 0.87 CYP3A4 (0.60) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL19838241 0.87 CYP3A4 (0.66) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL896978 0.85 CYP2D6 (0.50) MGLLRORCCYP2D6CYP3A4TSHR
SCHEMBL8060453 0.84 CYP2D6 (0.72) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL29468752 0.84 RORC (0.53) MGLLGPR183RORCCYP2D6CYP3A4
SCHEMBL30620521 0.84 RORC (0.49) MGLLGPR183RORCCYP2D6CYP3A4
SCHEMBL21262272 0.83 CYP2D6 (0.60) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 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-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL MGLL 3/4885GPR183 709/4885RORC 1597/4885

“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.