SCHEMBL19061908

SCHEMBL19061908

CCc1ccccc1NCCc1cccc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.65
ABCG2 Q9UNQ0 3/20 0.65
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
GRM2 Q14416 1/20 0.56
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
BCHE P06276 1/20 0.49

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
SCHEMBL6513356 0.80 GAA (0.54) GRM2
SCHEMBL19061902 0.80 SPR (0.48) CHRM2CHRM1CHRM3
SCHEMBL5101834 0.78 CHRM2 (0.66) ABCB1ABCG2CHRM2CHRM1CHRM3
SCHEMBL27923029 0.77 CHRM2 (0.60) ABCB1ABCG2CHRM2CHRM1CHRM3
SCHEMBL19062086 0.77 CHRM2 (0.60) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL28803519 0.77 CHRM2 (0.60) ABCB1ABCG2CHRM2CHRM1CHRM3
SCHEMBL27907664 0.77 ABCB1 (0.68) ABCB1ABCG2GRM2
SCHEMBL5524054 0.76 CHRM2 (0.68) ABCB1ABCG2CHRM2CHRM1CHRM3
SCHEMBL19061666 0.76 TAAR1 (0.52) ABCB1ABCG2
SCHEMBL19061903 0.76 POLB (0.71) ABCB1

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
US-10398689-B2 Benzopiperidine derivative, preparation method thereof and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-09-03 US disclosed
WO-2017107754-A1 BENZOPIPERIDINE DERIVATIVE, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2017-06-29 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 (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-10398689-B2 Benzopiperidine derivative, preparation method thereof and medical use thereof CYP19A1, BRCA1, GPER1 ABCB1 53/4885ABCG2 319/4885CHRM2 1014/4885

“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.