SCHEMBL20558104

SCHEMBL20558104

O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 9/20 0.51
CYP3A4 P08684 8/20 0.50
CYP2D6 P10635 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 5/20 0.49
CYP1A2 P05177 2/20 0.49
HIF1A Q16665 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL21276202 0.93 USP2 (0.56) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21276211 0.89 FAAH (0.56) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21276209 0.88 USP2 (0.49) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21276272 0.88 USP2 (0.49) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21276150 0.87 USP2 (0.51) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21276223 0.85 MGLL (0.49) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21276187 0.84 MGLL (0.52)
SCHEMBL21276161 0.84 GPR52 (0.46) ALDH1A1
SCHEMBL21276210 0.81 FAAH (0.58) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL21257967 0.81 CYP3A4 (0.51) USP2CYP3A4CYP2D6TSHRCYP1A2

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-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 US disclosed
US-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 US disclosed
US-20180327410-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2018-11-15 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 (2 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-20180327410-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME FAAH, FAAH2, MGLL USP2 2128/4885CYP3A4 193/4885CYP2D6 114/4885
US-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL USP2 2128/4885CYP3A4 193/4885CYP2D6 114/4885

“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.