SCHEMBL19253045

SCHEMBL19253045

CNC(=O)N1CCCCC1C1CCN(C2CC3(CCN(C(=O)O)C3)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH3 Q9Y5N1 8/20 0.34
▸ CHRM4 P08173 3/20 0.34
▸ CHRM1 P11229 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL20292006 0.97 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL20291998 0.97 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL20292045 0.97 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL23853843 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL20291977 0.87 TSHR (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL18382185 0.87 CHRM4 (0.49) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL23849577 0.87 CHRM4 (0.40) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL20291982 0.86 HRH3 (0.34) NPC1RAB9ASMN1; SMN2HRH3CHRM4
SCHEMBL18923661 0.86 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2CHRM4ALDH1A1
SCHEMBL16992538 0.86 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2CHRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 — — EP claimed
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 — — US claimed

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-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 NPC1 1913/4885RAB9A 943/4885SMN1; SMN2 3252/4885

“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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