SCHEMBL15701213

SCHEMBL15701213

Oc1ccc(CCNCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.61
▸ SIGMAR1 Q99720 1/20 0.61
▸ ESR1 P03372 4/20 0.59
▸ ESR2 Q92731 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.53
▸ F13A1 P00488 1/20 0.53
▸ CA2 P00918 1/20 0.52
▸ ADRA2A P08913 3/20 0.50
▸ SLC6A2 P23975 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP2D6 P10635 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
SCHEMBL14230075 0.88 ESR1 (0.52) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL7381628 0.80 TMEM97 (0.67) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL1091362 0.78 TMEM97 (0.64) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL449737 0.76 ESR1 (0.77) ESR1ESR2KDM4ECA2ADRA2A
SCHEMBL245139 0.76 ESR1 (0.77) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL1171041 0.76 ESR1 (0.77) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL17919346 0.76 TAAR1 (0.50) CA2ALDH1A1TAAR1NPC1CYP1A2
SCHEMBL274906 0.76 TMEM97 (1.00) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL29690338 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL20831067 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E

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-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 — — US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 — — 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-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING EZR, NHERF1, ERMP1 TMEM97 3085/4885SIGMAR1 3981/4885ESR1 1364/4885

“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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