SCHEMBL4959889

SCHEMBL4959889

CC(=O)[N]Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46
CTBP2 P56545 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.42
PNMT P11086 1/20 0.42
IDO1 P14902 1/20 0.42
HTT P42858 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2995781 0.74 IDO1 (0.52) RAB9ANPC1TAAR1CTBP2PNMT
SCHEMBL265672 0.74 CTBP2 (0.55) RAB9ANPC1CTBP2MAOAMAOB
Acetic Acid SCHEMBL27865224 0.74 NPC1 (0.52) RAB9ANPC1CTBP2MAOAMAOB
SCHEMBL6970211 0.73 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1HTTKDM4E
SCHEMBL803464 0.73 IDO1 (0.50) RAB9ANPC1TAAR1CTBP2PNMT
Methyl Alcohol SCHEMBL28233464 0.72 CTBP2 (0.53) RAB9ANPC1CTBP2MAOAMAOB
Acetic Acid SCHEMBL27587476 0.72 NPC1 (0.50) RAB9ANPC1CTBP2MAOAMAOB
SCHEMBL1040588 0.71 NOS2 (0.50) CTBP2ALDH1A1GRIN1GRIN2BPKM
SCHEMBL27796775 0.71 NPC1 (0.53) RAB9ANPC1TAAR1CTBP2MAOA
SCHEMBL1293 0.71 IAPP (0.55) RAB9ANPC1TAAR1MAOAMAOB

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 9 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
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW 2008-04-17 US disclosed
US-20020165246-A1 Administration of sleep restorative agents HOLMAN ANDREW (US) 2002-11-07 US 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-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

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-20020165246-A1 Administration of sleep restorative agents GAP43, PER2, PSAP RAB9A 3709/4885NPC1 1578/4885TAAR1 2721/4885
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS GAP43, PER2, PSAP RAB9A 3791/4885NPC1 1549/4885TAAR1 2924/4885

“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.