SCHEMBL19831902

SCHEMBL19831902

CCc1noc2c1CNCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.58
CHRM5 P08912 9/20 0.55
CHRM1 P11229 9/20 0.55
CHRM2 P08172 8/20 0.55
CHRM4 P08173 8/20 0.55
HTR2C P28335 3/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1E P28566 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL17234787 0.86 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL4349594 0.81 CHRM3 (0.50) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL19033501 0.81 CHRM3 (0.50) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10652697 0.80 CHRM3 (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL4115773 0.76 CHRM3 (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10654776 0.75 CHRM3 (0.97) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL3441412 0.74 CHRM3 (0.47) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10652956 0.73 CHRM3 (1.00) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL4339111 0.73 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL13061758 0.73 SMN1; SMN2 (0.42) CHRM3CHRM5CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 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 (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-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885

“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.