SCHEMBL20877706

SCHEMBL20877706

CCCCCCC(C)(C)c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.40
▸ CNR1 P21554 10/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP19A1 P11511 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ NAAA Q02083 1/20 0.33

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
SCHEMBL21784451 0.98 CYP2D6 (0.41) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL22585255 0.93 CYP2D6 (0.41) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL24871950 0.87 FAAH (0.40) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL18557088 0.87 FAAH (0.40) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL24872011 0.87 FAAH (0.40) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL22828519 0.87 FAAH (0.40) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL21370103 0.86 CYP19A1 (0.39) FAAHCYP2D6CYP19A1CYP3A4
SCHEMBL18612676 0.85 FAAH (0.39) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL22964913 0.85 FAAH (0.39) CNR2CNR1FAAHCYP2D6CYP19A1
SCHEMBL18415044 0.84 FAAH (0.38) CNR2CNR1FAAHCYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 — — US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 — — US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 — — US disclosed
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 — — 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 (5 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-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 CNR2 4439/4885CNR1 4029/4885FAAH 2443/4885
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC CNR2 2172/4885CNR1 2306/4885FAAH 1125/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC CNR2 2172/4885CNR1 2306/4885FAAH 1125/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885FAAH 2993/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885FAAH 2993/4885

“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.

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