SCHEMBL3844538

SCHEMBL3844538

O=CN1CCN(CCSc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.70
GRIN2A Q12879 2/20 0.61
GRIN2B Q13224 2/20 0.61
TNKS O95271 1/20 0.60
PARP1 P09874 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
BCHE P06276 1/20 0.58
SOAT1 P35610 5/20 0.56
GRIN2C Q14957 1/20 0.54
EPHX2 P34913 1/20 0.53
AR P10275 1/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL9514091 0.86 RAB9A (0.74) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL9512664 0.85 RAB9A (0.78) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL5391564 0.85 ALDH1A1 (0.52) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL5391572 0.85 ALDH1A1 (0.52) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL13617010 0.85 RAB9A (0.73) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL9513272 0.84 RAB9A (0.76) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL1704979 0.83 RAB9A (0.74) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL9514685 0.82 RAB9A (1.00) RAB9AGRIN2AGRIN2BTNKSPARP1
Hydrochloric Acid SCHEMBL1704951 0.82 RAB9A (0.73) RAB9AGRIN2AGRIN2BTNKSPARP1
SCHEMBL5387405 0.82 ALDH1A1 (0.57) RAB9AGRIN2AGRIN2BTNKSPARP1

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 17 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 claimed
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 claimed
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 claimed
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 claimed
US-6998486-B2 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2006-02-14 US claimed
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 claimed
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2005-02-10 US claimed
EP-1460065-A1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF Kowa Co., Ltd. (JP) 2004-09-22 EP claimed
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
US-6998486-B2 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2006-02-14 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
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1460065-A1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF Kowa Co., Ltd. (JP) 2004-09-22 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 (2 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 2124/4885GRIN2A 3351/4885GRIN2B 3885/4885
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof SRM, DDC, QDPR RAB9A 2190/4885GRIN2A 2702/4885GRIN2B 2203/4885

“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.