SCHEMBL294038

SCHEMBL294038

CCCCCCC1CCCN1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.56
S1PR3 Q99500 3/20 0.56
S1PR5 Q9H228 3/20 0.56
S1PR4 O95977 1/20 0.50
CYP1A2 P05177 1/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 1/20 0.42
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
LSS P48449 2/20 0.41

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
SCHEMBL22363324 1.00 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL28123239 1.00 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL22363289 1.00 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL14539275 1.00 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4CYP1A2
Fluoride SCHEMBL29251661 0.98 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL292866 0.98 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL27551089 0.94 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL27287754 0.94 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL28111758 0.94 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4CYP1A2
SCHEMBL4419378 0.94 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4CYP1A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN claimed
CN-102625827-A Lubricating compositions SHELL INT RESEARCH 2012-08-01 CN claimed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
CN-109642165-A Integrated coalescing system for separating liquid hydrocarbons from dispersed ionic liquid 雪佛龙美国公司 2019-04-16 CN disclosed
CN-108982403-A Integrated system and method for online monitoring of chemical concentration in ionic liquid 雪佛龙美国公司 2018-12-11 CN disclosed
CN-108473880-A Regeneration of acidic ionic liquid without adding hydrogenation catalyst 雪佛龙美国公司 2018-08-31 CN disclosed
CN-108014660-A It is continuously injected into the integrated system of a small amount of immiscible liquids 雪佛龙美国公司 2018-05-11 CN disclosed
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN 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-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-102625827-A Lubricating compositions SHELL INT RESEARCH 2012-08-01 CN 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 (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-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 S1PR1 525/4885S1PR3 741/4885S1PR5 1003/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 S1PR1 525/4885S1PR3 741/4885S1PR5 1003/4885

“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.