SCHEMBL325231

SCHEMBL325231

CCCC(N)(c1cccs1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
CHRM3 P20309 4/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KIF11 P52732 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 1/20 0.31
HDAC3 O15379 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL26936608 0.82 ESR1 (0.47) ESR1CHRM3TAAR1KIF11CNR1
SCHEMBL2560818 0.82 ESR1 (0.51) ESR1CHRM3TAAR1KIF11CNR1
SCHEMBL27754626 0.82 ESR1 (0.51) ESR1CHRM3TAAR1KIF11CNR1
SCHEMBL19721711 0.79 ESR1 (0.49) ESR1CHRM3CNR1CNR2SMN1; SMN2
SCHEMBL18949950 0.79 ESR1 (0.49) ESR1CHRM3CNR1CNR2SMN1; SMN2
SCHEMBL158683 0.78 ESR1 (0.51) ESR1CHRM3KIF11CNR1CNR2
SCHEMBL18949985 0.76 ESR1 (0.46) ESR1CHRM3CNR1CNR2SMN1; SMN2
SCHEMBL19217507 0.73 ESR1 (0.44) ESR1CHRM3CNR1CNR2SMN1; SMN2
SCHEMBL7683272 0.72 ESR1 (0.43) ESR1CHRM3TAAR1CNR1CNR2
SCHEMBL22023927 0.72 ESR1 (0.43) ESR1CHRM3TAAR1CNR1CNR2

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 ESR1 4605/4885CHRM3 1/4885TAAR1 2723/4885

“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.