SCHEMBL21276335

SCHEMBL21276335

COc1ccc(CN2CCC3(CCN(C(=O)n4cc(C(F)(F)F)cn4)C3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.56
▸ USP2 O75604 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GHSR Q92847 1/20 0.49
▸ MGLL Q99685 1/20 0.49

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
SCHEMBL21276267 0.90 MGLL (0.49) MGLL
SCHEMBL21276318 0.89 CYP3A4 (0.51) CYP3A4USP2HIF1ACYP1A2CYP2D6
SCHEMBL21257996 0.89 MGLL (0.50) CYP3A4USP2CYP2C9CYP1A2CYP2D6
SCHEMBL21257971 0.84 MGLL (0.54) CYP3A4USP2CYP2C9CYP1A2CYP2D6
SCHEMBL21276130 0.84 CYP2D6 (0.62) CYP3A4USP2HIF1AALDH1A1CYP1A2
SCHEMBL21276150 0.83 USP2 (0.51) CYP3A4USP2HIF1AALDH1A1CYP1A2
SCHEMBL20556565 0.83 — —
SCHEMBL21276124 0.83 MCHR1 (0.50) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL21257983 0.83 FAAH (0.53) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL21257967 0.81 CYP3A4 (0.51) CYP3A4USP2HPGDCYP1A2CYP2D6

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 CYP3A4 193/4885USP2 2128/4885HIF1A 3659/4885

“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.

Send feedback