SCHEMBL293269

SCHEMBL293269

[CH2]CCCc1nc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.79
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
DDAH1 O94760 1/20 0.58
CHRM1 P11229 1/20 0.57
PDE10A Q9Y233 2/20 0.55
GAA P10253 1/20 0.54
BCHE P06276 1/20 0.53
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL511591 0.95 POLB (0.83) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL8150863 0.93 POLB (0.80) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL510431 0.93 POLB (0.80) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL293402 0.89 POLB (0.72) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7006523 0.89 POLB (1.00) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854448 0.89 POLB (0.92) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL28706592 0.87 POLB (0.70) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7856311 0.87 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854826 0.87 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7856315 0.87 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425741-A Jatrorrhizine derivative with antibacterial activity, synthesis method and application 西南大学 2023-07-14 CN claimed
CN-116425741-A Jatrorrhizine derivative with antibacterial activity, synthesis method and application 西南大学 2023-07-14 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-101384532-B method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD 2013-01-02 CN 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-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-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-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 EP 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
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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 (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-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 POLB 1478/4885NPC1 3609/4885RAB9A 452/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 POLB 3667/4885NPC1 436/4885RAB9A 1250/4885

“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.