SCHEMBL4907009

SCHEMBL4907009

CCCN1CCN(CCOc2cc(C(=O)N3CC[C@H](C)Nc4ccccc43)ccc2-c2ccc(NCC)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 3/20 0.36
AVPR2 P30518 4/20 0.36
AVPR1A P37288 3/20 0.36
AVPR1B P47901 1/20 0.36
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
ROCK2 O75116 1/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPTLC2 O15270 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL4912248 0.96 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AAVPR2AVPR1A
SCHEMBL4913128 0.88 PDCD1 (0.38) ALDH1A1KDM4ESMN1; SMN2AVPR2AVPR1A
SCHEMBL4914325 0.87 AVPR2 (0.38) ALDH1A1AVPR2AVPR1AAVPR1BPDCD1
SCHEMBL5240656 0.86 AVPR2 (0.40) ALDH1A1AVPR2AVPR1AAVPR1BPDCD1
SCHEMBL4908675 0.86 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2AVPR2KIT
SCHEMBL4912265 0.84 KDR (0.42) KDM4EAVPR2KITKDRFLT3
SCHEMBL4911669 0.84 KDM4E (0.37) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4910197 0.82 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2AVPR1ACD274
SCHEMBL4907822 0.82 CHEK1 (0.45) KDM4EHTR7HTR1A
SCHEMBL4909668 0.81 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2MCHR1AVPR1A

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 5 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
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
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
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 ALDH1A1 492/4885KDM4E 2138/4885KMT2A 2872/4885

“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.