SCHEMBL20547236

SCHEMBL20547236

Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)sc2c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.38
▸ CHRM4 P08173 4/20 0.36
▸ XIAP P98170 1/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34

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
SCHEMBL20548252 0.92 CHRM4 (0.36) NTRK1CHRM4XIAPCNR1P2RX7
SCHEMBL30373743 0.92 CHRM4 (0.36) NTRK1CHRM4XIAPCNR1P2RX7
SCHEMBL22077544 0.91 PDE4B (0.37) NTRK1CHRM4P2RX7BRD4CREBBP
SCHEMBL30373914 0.91 PDE4B (0.37) NTRK1CHRM4P2RX7BRD4CREBBP
SCHEMBL30373935 0.90 NTRK1 (0.36) NTRK1CHRM4XIAPCNR1CNR2
SCHEMBL20547510 0.90 NTRK1 (0.36) NTRK1CHRM4XIAPCNR1CNR2
SCHEMBL30373929 0.89 NTRK1 (0.36) NTRK1CHRM4XIAPCNR1P2RX7
SCHEMBL22077537 0.89 NTRK1 (0.36) NTRK1CHRM4XIAPCNR1P2RX7
SCHEMBL20547556 0.89 P2RX7 (0.36) NTRK1CHRM4XIAPCNR1P2RX7
SCHEMBL30373567 0.89 P2RX7 (0.36) NTRK1CHRM4XIAPCNR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3585791-B1 NEW BICYCLIC PYRAZOLE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-10-16 — — EP disclosed
CN-110536892-B Novel bicyclic pyrazole derivatives 拜耳动物保健有限责任公司 2023-05-12 — — CN disclosed
US-11130768-B2 Bicyclic pyrazole derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-09-28 — — US disclosed
US-11130768-B2 Bicyclic pyrazole derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-09-28 — — US disclosed
US-20200190111-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-06-18 — — US disclosed
US-20200190111-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-06-18 — — US disclosed
WO-2018197401-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-11-01 — — WO 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-20200190111-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES CYP1B1, QPCT, CYP4B1 NTRK1 4860/4885CHRM4 1442/4885XIAP 4019/4885
US-11130768-B2 Bicyclic pyrazole derivatives CYP1B1, CYP3A43, CYP3A5 NTRK1 4872/4885CHRM4 1513/4885XIAP 3971/4885

“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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