SCHEMBL4769279

SCHEMBL4769279

COc1cc(-c2cc(CN3CCN(C(=O)c4ccc5ccccc5c4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ NPC1 O15118 1/20 0.56
▸ WNK1 Q9H4A3 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ F10 P00742 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL4771108 0.91 POLB (0.66) POLBWNK1KDM4EALDH1A1MEN1
SCHEMBL4766504 0.91 KDM4E (0.62) POLBWNK1KDM4EALDH1A1MEN1
SCHEMBL4769091 0.89 POLB (0.72) POLBWNK1KDM4EALDH1A1MEN1
SCHEMBL4766164 0.88 WNK1 (0.61) POLBWNK1KDM4EALDH1A1MEN1
SCHEMBL4769312 0.88 POLB (0.64) POLBWNK1KDM4EALDH1A1MEN1
SCHEMBL4774242 0.87 KMT2A (0.54) ALDH1A1MEN1KMT2AMCHR1CYP3A4
SCHEMBL4770714 0.86 POLB (0.57) POLBWNK1KDM4EALDH1A1TP53
SCHEMBL7122957 0.85 KDM4E (0.63) POLBWNK1KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL4768371 0.85 PDGFRB (0.48) POLBALDH1A1TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL9621025 0.85 POLB (0.70) POLBNPC1KDM4EALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 — — EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 — — EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 — — US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 — — 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 POLB 901/4885NPC1 84/4885WNK1 748/4885

“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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