SCHEMBL3837997

SCHEMBL3837997

CC(=O)N(Cl)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TSPO P30536 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.46
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1255010 0.85 CA12 (0.55) CA12CA9NPC1RAB9ALMNA
SCHEMBL10396752 0.83 HRH3 (0.46) CA12CA9RAB9ATSPOLMNA
SCHEMBL28949040 0.80 NPC1 (0.52) CA12CA9NPC1RAB9ATSPO
SCHEMBL7838666 0.80 KMT2A (0.53) CA12CA9NPC1RAB9AALDH1A1
SCHEMBL23805051 0.79 CA12 (0.50) CA12CA9NPC1RAB9ALMNA
SCHEMBL17710407 0.79 CA12 (0.50) CA12CA9NPC1RAB9ALMNA
SCHEMBL2117209 0.78 LMNA (0.62) CA12CA9NPC1RAB9ATSPO
SCHEMBL2526727 0.78 LMNA (0.57) CA12CA9NPC1RAB9ATSPO
SCHEMBL3250782 0.78 TSPO (0.49) CA12CA9NPC1RAB9ATSPO
SCHEMBL17333394 0.77 NPC1 (0.53) CA12CA9NPC1RAB9ATSPO

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
JP-56051403-A None JP disclosed
CN-103827298-A Lipase variants and polynucleotides encoding same NOVOZYMES AS 2014-05-28 CN disclosed
EP-1553092-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 EP disclosed
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW 2008-04-17 US disclosed
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 US disclosed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 US disclosed
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 EP disclosed
US-20020165246-A1 Administration of sleep restorative agents HOLMAN ANDREW (US) 2002-11-07 US disclosed
EP-0931079-B1 SUBSTITUTED BENZOCYCLOHEPTAPYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORP (US) 2001-11-21 EP disclosed
US-6300365-B1 ADMINISTERING NON-ERGOT DOPAMINE D.SUB.2 /D.SUB.3 RECEPTOR AGONIST OR ACID ADDITION SALT COMPRISING 3(H)-INDOLONE COMPOUND FOR THERAPY OF FIBROMYALGIA INMEDIX, LLC 2001-10-09 US disclosed
US-6277875-B1 FIBROMYALGIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2001-08-21 US disclosed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO disclosed
US-6040305-A ENZYME INHIBITOR AS ANTITUMOR AGENT TREATING PANCREATIC TUMOR, LUNG CANCER, MYELOID LEUKEMIA, THYROID FOLLICULAR TUMOR, MYELODYSPLASTIC TUMOR, EPIDERMAL CARCINOMA TUMOR, BLADDER TUMOR, COLON TUMOR, BREAST TUMOR, PROSTATE TUMOR SCHERING CORPORATION (US) 2000-03-21 US disclosed
EP-0931079-A1 SUBSTITUTED BENZOCYCLOHEPTAPYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-28 EP disclosed
WO-1998011099-A1 SUBSTITUTED BENZOCYCLOHEPTAPYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
JP-S5651403-A PLANT GROWTH SUPPRESSING AGENT KUREHA CHEM IND CO LTD 1981-05-09 JP 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 (3 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-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent GAP43, FABP7, AGK CA12 4708/4885CA9 4804/4885NPC1 2872/4885
US-20020165246-A1 Administration of sleep restorative agents GAP43, PER2, PSAP CA12 2551/4885CA9 3995/4885NPC1 1578/4885
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS GAP43, PER2, PSAP CA12 2659/4885CA9 4055/4885NPC1 1549/4885

“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.