SCHEMBL292992

SCHEMBL292992

[CH2]CCc1ccc2c(c1)OCC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRNB2 P17787 1/20 0.55
CHRM3 P20309 1/20 0.55
CHRNA4 P43681 1/20 0.55
PDE2A O00408 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GRM5 P41594 1/20 0.35
KCNH2 Q12809 4/20 0.35
PRKCI P41743 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL27517885 0.90 CHRM2 (0.46) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL294415 0.90 CHRM1 (0.52) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL511968 0.88 CHRM2 (0.51) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL292900 0.86 RAB9A (0.45) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL292129 0.85 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL29829380 0.82 CHRM2 (0.55) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL14035865 0.82 CHRM2 (0.58) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL17726330 0.82 TAAR1 (0.56) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL17726436 0.82 CHRM2 (0.55) CHRM2CHRM1CHRNB2CHRM3CHRNA4
Hydrochloric Acid SCHEMBL20563250 0.81 TAAR1 (0.54) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO 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 (3 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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CHRM2 909/4885CHRM1 638/4885CHRNB2 348/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CHRM2 909/4885CHRM1 638/4885CHRNB2 348/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 CHRM2 909/4885CHRM1 638/4885CHRNB2 348/4885

“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.