SCHEMBL294856

SCHEMBL294856

[CH2]COCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
LMNA P02545 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAOA P21397 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11247567 0.96 IDO1 (0.53) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL299485 0.94 L3MBTL1 (0.51) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL8729752 0.92 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1MAOA
SCHEMBL9021195 0.92 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1MAOA
SCHEMBL511327 0.92 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1MAOA
SCHEMBL8496055 0.92 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1MAOA
SCHEMBL299681 0.92 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1MAOA
SCHEMBL294494 0.86 CA1 (0.45) IDO1HTR2AMAOATDP1
SCHEMBL196951 0.86 IDO1 (0.67) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL57901 0.85 IDO1 (0.55) IDO1MEN1KMT2AHRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
CN-104302644-A Thiazolecarboxamide derivatives and methods of use thereof NIHON NOHYAKU CO LTD 2015-01-21 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
WO-2013041482-A1 SIDE CHAIN-FUNCTIONALIZED PEG Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2013-03-28 WO 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
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 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
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023445-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023415-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023416-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
EP-0500853-B1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM THOMAE GMBH DR K (DE) 1996-12-27 EP disclosed
US-5393774-A Antispasmodic agents PIEPER HELMUT (DE) 1995-02-28 US disclosed
EP-0500853-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. THOMAE GMBH DR K (DE) 1992-09-02 EP disclosed
WO-1992004316-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1992-03-19 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 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 (1 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 IDO1 1375/4885MEN1 2715/4885KMT2A 480/4885

“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.