Sugi Predict

Sugi Predict / Compounds / SCHEMBL4909668

SCHEMBL4909668

SCHEMBL4909668

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CHUK O15111 2/20 0.38
▸ INSR P06213 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ CAMKK2 Q96RR4 2/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 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
SCHEMBL4910197 0.91 KDM4E (0.44) KDM4EALDH1A1POLBL3MBTL1USP2
SCHEMBL4907822 0.90 CHEK1 (0.45) KDM4EPOLBL3MBTL1USP2HRH3
SCHEMBL4908675 0.90 KDM4E (0.43) KDM4EALDH1A1POLBL3MBTL1USP2
SCHEMBL4912265 0.88 KDR (0.42) KDM4EPOLBL3MBTL1USP2CHUK
SCHEMBL14258821 0.88 ABL1 (0.45) KDM4EPOLBL3MBTL1USP2HRH3
SCHEMBL14267539 0.85 KDM4E (0.39) KDM4EPOLBL3MBTL1USP2CHUK
SCHEMBL4907011 0.85 DRD2 (0.41) KDM4EALDH1A1MAPTPOLBL3MBTL1
SCHEMBL4907246 0.85 DRD2 (0.41) KDM4EALDH1A1MAPTPOLBL3MBTL1
SCHEMBL14432431 0.85 KDM4E (0.39) KDM4EPOLBL3MBTL1USP2CHUK
SCHEMBL4904408 0.85 DRD2 (0.41) KDM4EALDH1A1MAPTPOLBL3MBTL1

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 2138/4885ALDH1A1 492/4885GAA 2281/4885

“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.