SCHEMBL18390259

SCHEMBL18390259

CN1CCN(C(=O)C(N)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.61
▸ CHRM3 P20309 4/20 0.60
▸ HSD17B10 Q99714 1/20 0.55
▸ NPC1 O15118 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HRH1 P35367 2/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ OPRM1 P35372 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
Hydrochloric Acid SCHEMBL21995057 0.90 ROCK2 (0.54) CHRM1CHRM3ROCK2CYP3A4HRH1
Hydrochloric Acid SCHEMBL21995059 0.90 ROCK2 (0.54) CHRM1CHRM3ROCK2CYP3A4HRH1
SCHEMBL12615130 0.86 CHRM3 (0.53) CHRM1CHRM3ROCK2CYP3A4HRH1
SCHEMBL14027830 0.84 DPP4 (0.54) CHRM1CHRM3ROCK2CYP3A4HRH1
SCHEMBL5007669 0.84 DPP4 (0.54) CHRM1CHRM3ROCK2CYP3A4HRH1
SCHEMBL21159095 0.84 SMN1; SMN2 (0.48) CHRM1CHRM3HSD17B10NPC1CYP2D6
SCHEMBL18704999 0.84 CHRM1 (0.63) CHRM1ROCK2CYP3A4KCNH2
SCHEMBL22642320 0.83 ROCK2 (0.50) CHRM1CHRM3ROCK2CYP3A4HRH1
SCHEMBL4989120 0.83 HRH2 (0.55) CHRM1CHRM3ROCK2CYP3A4HRH1
SCHEMBL1590282 0.83 CHRM1 (0.65) CHRM1CHRM3HSD17B10CYP2D6

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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 — — 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CHRM1 2368/4885CHRM3 2859/4885HSD17B10 3956/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRM1 2165/4885CHRM3 2934/4885HSD17B10 3963/4885

“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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