SCHEMBL511968

SCHEMBL511968

[CH2]CCCCc1ccc2c(c1)OCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRM3 P20309 1/20 0.51
CHRNA4 P43681 1/20 0.51
PDE2A O00408 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 2/20 0.34
CALM1 P0DP23 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GRM5 P41594 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
SCHEMBL294415 0.95 CHRM1 (0.52) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL292992 0.88 CHRM2 (0.55) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL294204 0.87 RAB9A (0.45) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL292510 0.82 RAB9A (0.43) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL292129 0.81 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL3021772 0.80 HDAC1 (0.48) CYP3A4HDAC1CALM1HDAC3HDAC2
SCHEMBL27517885 0.79 CHRM2 (0.46) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL17726330 0.78 TAAR1 (0.56) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL29829380 0.78 CHRM2 (0.55) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL17726436 0.78 CHRM2 (0.55) 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 13 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
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
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-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-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP 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-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
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.