SCHEMBL3841576

SCHEMBL3841576

CC(C)(C)OC(=O)N1CCN(CCSc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
TNKS O95271 2/20 0.55
PARP1 P09874 2/20 0.55
TNKS2 Q9H2K2 2/20 0.55
PARP2 Q9UGN5 2/20 0.55
SOAT1 P35610 5/20 0.55
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 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
SCHEMBL5390175 0.86 ALDH1A1 (0.47) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL5390189 0.86 ALDH1A1 (0.47) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL1705553 0.84 ALDH1A1 (0.52) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL9514091 0.80 RAB9A (0.74) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL2775647 0.79 RAB9A (0.52) RAB9APARP1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL13617010 0.79 RAB9A (0.73) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL6282065 0.78 SOAT1 (0.55) RAB9ASOAT1MAPTALDH1A1SMN1; SMN2
SCHEMBL9512664 0.77 RAB9A (0.78) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL3844538 0.77 RAB9A (0.70) RAB9ATNKSPARP1TNKS2PARP2
SCHEMBL9513272 0.76 RAB9A (0.76) RAB9ATNKSPARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460065-B1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF KOWA CO (JP) 2012-12-05 EP disclosed
EP-1566381-B1 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL PIPERAZINE OR SALTS THEREOF KOWA CO (JP) 2009-11-11 EP disclosed
US-7214796-B2 Process for production of 1-[2-(benzimidazol-2-yl-thio)ethyl]piperazine or salts thereof KOWA CO., LTD. (JP) 2007-05-08 US disclosed
US-7214796-B2 Process for production of 1-[2-(benzimidazol-2-yl-thio)ethyl]piperazine or salts thereof KOWA CO., LTD. (JP) 2007-05-08 US disclosed
US-20060035906-A1 Process for production of 1-[2-(benzimidazol-2-yl- thio)ethy]piperazine or salts thereof KOWA CO., LTD. AICHI, JAPAN 2006-02-16 US disclosed
EP-1566381-A1 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL ]PIPERAZINE OR SALTS THEREOF Kowa Co., Ltd. (JP) 2005-08-24 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-20060035906-A1 Process for production of 1-[2-(benzimidazol-2-yl- thio)ethy]piperazine or salts thereof SAT1, ACAT2, NAT1 RAB9A 2124/4885TNKS 1407/4885PARP1 2321/4885

“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.