SCHEMBL4910197

SCHEMBL4910197

C[C@H]1CCN(C(=O)c2ccc(-c3ccc(N)cc3)c(OCCN3CCOCC3)c2)c2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHUK O15111 3/20 0.40
INSR P06213 3/20 0.40
MAPK8 P45983 3/20 0.40
CAMKK2 Q96RR4 3/20 0.40
USP2 O75604 1/20 0.40
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
TNF P01375 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
CHEK1 O14757 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL4907822 0.92 CHEK1 (0.45) KDM4EPOLBL3MBTL1USP2HRH3
SCHEMBL4908675 0.91 KDM4E (0.43) KDM4EPOLBL3MBTL1CHUKINSR
SCHEMBL4909668 0.91 KDM4E (0.43) KDM4EPOLBL3MBTL1CHUKINSR
SCHEMBL4912265 0.90 KDR (0.42) KDM4EPOLBL3MBTL1CHUKINSR
SCHEMBL14258821 0.89 ABL1 (0.45) KDM4EPOLBL3MBTL1USP2HRH3
SCHEMBL4907017 0.87 ROCK2 (0.38) POLBALDH1A1CD274AVPR1A
SCHEMBL4907246 0.87 DRD2 (0.41) KDM4EPOLBL3MBTL1USP2HRH3
SCHEMBL14432431 0.87 KDM4E (0.39) KDM4EPOLBL3MBTL1CHUKINSR
SCHEMBL14267539 0.87 KDM4E (0.39) KDM4EPOLBL3MBTL1CHUKINSR
SCHEMBL4907011 0.87 DRD2 (0.41) KDM4EPOLBL3MBTL1USP2HRH3

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 KDM4E 2138/4885POLB 4575/4885L3MBTL1 4776/4885

“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.