SCHEMBL19206091

SCHEMBL19206091

c1cncc(Oc2cccc(CN3CCCC3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.74
CHRNB2 P17787 2/20 0.63
CHRNA4 P43681 2/20 0.63
TDP1 Q9NUW8 2/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
FAAH O00519 5/20 0.53
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.51

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
SCHEMBL30302143 0.88 TRPV6 (0.69) TRPV6CHRNB2CHRNA4TDP1LMNA
SCHEMBL20567623 0.88 TRPV6 (0.69) TRPV6CHRNB2CHRNA4TDP1LMNA
SCHEMBL20570424 0.84 TRPV6 (0.70) TRPV6LMNAKDM4EALDH1A1HTT
SCHEMBL6499571 0.82 ALDH1A1 (0.75) TRPV6TDP1LMNAKDM4EALDH1A1
SCHEMBL6496864 0.81 ALDH1A1 (0.73) TRPV6TDP1LMNAKDM4EALDH1A1
SCHEMBL19206082 0.80 ALDH1A1 (0.58) TRPV6TDP1LMNAKDM4EALDH1A1
SCHEMBL20567182 0.79 TRPV6 (0.59) TRPV6LMNAKDM4EALDH1A1FAAH
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 0.78 CHRNB2 (1.00) TRPV6CHRNB2CHRNA4TDP1KDM4E
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 0.78 CHRNB2 (1.00) TRPV6CHRNB2CHRNA4TDP1KDM4E
SCHEMBL3763705 0.78 ALDH1A1 (0.57) TRPV6TDP1LMNAKDM4EALDH1A1

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-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 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 (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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A TRPV6 9/4885CHRNB2 650/4885CHRNA4 395/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A TRPV6 9/4885CHRNB2 650/4885CHRNA4 395/4885

“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.