SCHEMBL325230

SCHEMBL325230

NCCCC(c1cccs1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
HTR2A P28223 1/20 0.50
SLC7A5 Q01650 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
MAOB P27338 1/20 0.38
ALOX5 P09917 1/20 0.35

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
SCHEMBL17092626 0.88 HRH1 (0.46) HRH1SLC7A5TAAR1SLC6A2SLC6A4
SCHEMBL6642483 0.81 SLC7A5 (0.43) HRH1HTR2ASLC7A5TAAR1SLC6A2
SCHEMBL9879846 0.81 TAAR1 (0.44) HTR2ASLC7A5TAAR1SLC6A2SLC6A4
SCHEMBL28434383 0.80 CES2 (0.34) SLC7A5TAAR1
SCHEMBL14288464 0.77 HDAC1 (0.39)
SCHEMBL21381224 0.76 SLC1A3 (0.43) HRH1HTR2ASLC7A5TAAR1ALOX5
SCHEMBL14796046 0.75 CES2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL5684870 0.72 NPC1 (0.51) SLC7A5TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL604916 0.72 TAAR1 (0.58) HRH1HTR2ATAAR1SLC6A2SLC6A4
SCHEMBL1201233 0.72 NPC1 (0.51) SLC7A5TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018227-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS CHARACTERIZED WITH TGF-BETA ACTIVITY THE JOHNS HOPKINS UNIVERSITY 2024-01-18 US disclosed
WO-2022093967-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS CHARACTERIZED WITH TGF-BETA ACTIVITY THE JOHNS HOPKINS UNIVERSITY (US) 2022-05-05 WO disclosed
EP-3965820-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY The Regents of the University of California (US) 2022-03-16 EP disclosed
WO-2020226683-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-12 WO disclosed
US-8519154-B2 Method for treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-27 US disclosed
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
US-20120202868-A1 METHOD FOR TREATMENT OF BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-09 US disclosed
EP-2271332-B1 USE OF COMPOUNDS IN THE TREATMENT OF TAUOPATHY BIOALVO SERVICOS INVESTIGACAO E DESENVOLVIMENTO EM BIOTECNOLOGIA S A (PT) 2012-06-20 EP disclosed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
WO-2005087213-A1 COMBINATION OF DERAMCICLANE AND OPOIDS AS ANALGESICS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-09-22 WO disclosed
US-6063803-A ANALGESICS AND CHEMICAL INTERMEDIATES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-05-16 US disclosed
WO-1999065911-A1 OCTAHYDROPYRROLO-[3,4-c]CARBAZOLES USEFUL AS ANALGESIC AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-12-23 WO disclosed
US-5837716-A ANALGESICS ALBANY MEDICAL COLLEGE (US) 1998-11-17 US disclosed
EP-0861075-A1 ANALGESIC COMPOUNDS AND USES THEREOF ALBANY MEDICAL COLLEGE (US) 1998-09-02 EP disclosed
WO-1997017954-A1 ANALGESIC COMPOUNDS AND USES THEREOF ALBANY MEDICAL COLLEGE (US) 1997-05-22 WO disclosed
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
EP-0657455-A1 Epi-epibatidine derivatives, a process and intermediates for preparing them and epi-epibatidine and medicaments containing the epi-epibatidine derivatives and/or epi-epibatidine and the use of them EGIS GYOGYSZERGYAR (HU) 1995-06-14 EP disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0613898-A1 Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-07 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-20120202868-A1 METHOD FOR TREATMENT OF BRONCHIAL ASTHMA CHRM3, CHRM1, CHRM2 HRH1 18/4885HTR2A 3819/4885SLC7A5 3938/4885

“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.