SCHEMBL4904424

SCHEMBL4904424

CCCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.57
TMEM97 Q5BJF2 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTR2A P28223 2/20 0.57
OPRM1 P35372 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
HTR7 P34969 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HRH1 P35367 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HRH2 P25021 2/20 0.56
CYP2C19 P33261 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 1/20 0.53
TEAD3 Q99594 1/20 0.52

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
SCHEMBL27629467 0.96 SIGMAR1 (0.56) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL23100703 0.88 SIGMAR1 (0.54) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL5154279 0.88 MEN1 (0.58) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL5546044 0.87 MEN1 (0.54) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL9633842 0.87 TNKS (0.52) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL22788750 0.86 MEN1 (0.57) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL29300899 0.86 MEN1 (0.57) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL9633964 0.86 MEN1 (0.57) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL30239461 0.86 MEN1 (0.57) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL5536999 0.86 MEN1 (0.57) SIGMAR1TMEM97MEN1KMT2ANPSR1

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 SIGMAR1 759/4885TMEM97 654/4885MEN1 2996/4885

“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.