SCHEMBL10274465

SCHEMBL10274465

Cc1ccc2c(c1)C(=O)N(C)CCO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.52
PIK3CB P42338 5/20 0.52
PIK3CG P48736 5/20 0.52
PIK3CD O00329 2/20 0.44
KMT2A Q03164 4/20 0.42
CYP19A1 P11511 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL20786546 0.87 NPC1 (0.43) PIK3CAPIK3CBPIK3CGKMT2ACYP19A1
SCHEMBL9501566 0.83 RAF1 (0.40) PIK3CAPIK3CBPIK3CGKMT2ARAB9A
SCHEMBL15345180 0.81 CCR1 (0.41) PIK3CAPIK3CBPIK3CGRAB9ACYP2C9
SCHEMBL31707229 0.78 PKM (0.44) KMT2AMEN1PKM
SCHEMBL16546168 0.78 PKM (0.44) KMT2AMEN1PKM
SCHEMBL9501575 0.78 PIK3CD (0.49) PIK3CAPIK3CBPIK3CGPIK3CDKMT2A
SCHEMBL5022145 0.78 KMT2A (0.52) PIK3CAPIK3CBPIK3CGKMT2ARAB9A
SCHEMBL1775926 0.77 LRRK2 (0.42) KMT2ARAB9AMEN1ALDH1A1PKM
SCHEMBL1775305 0.73 PRMT5 (0.45) ALDH1A1RIPK1
SCHEMBL20786541 0.73 PRMT5 (0.45) PIK3CAPIK3CBPIK3CGPIK3CDKMT2A

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 9 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-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-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
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
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-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
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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PIK3CA 3268/4885PIK3CB 1994/4885PIK3CG 2984/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PIK3CA 3268/4885PIK3CB 1994/4885PIK3CG 2984/4885

“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.