SCHEMBL7236239

SCHEMBL7236239

ClCCCOc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.71
MAOA P21397 7/20 0.65
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
FKBP1A P62942 1/20 0.48

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
SCHEMBL5346825 0.93 MAOB (0.71) MAOBMAOANPC1RAB9ATSHR
SCHEMBL108114 0.91 MAOB (0.74) MAOBMAOANPC1RAB9ATSHR
SCHEMBL11802724 0.89 MAOB (0.72) MAOBMAOANPC1RAB9ATSHR
SCHEMBL107322 0.89 MAOB (0.83) MAOBMAOANPC1RAB9ATSHR
SCHEMBL984460 0.86 MAOB (0.68) MAOBMAOANPC1RAB9ATSHR
SCHEMBL3078802 0.84 MAOB (0.69) MAOBMAOANPC1RAB9ATSHR
SCHEMBL8112066 0.84 MAOB (0.66) MAOBMAOANPC1RAB9ATSHR
SCHEMBL595070 0.84 MAOB (0.66) MAOBMAOANPC1RAB9ATSHR
SCHEMBL7024761 0.84 MAOB (0.66) MAOBMAOANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL9196891 0.83 MAOB (0.58) MAOBMAOANPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627648-B1 Relevant nicotinic receptor subtypes to any significant degree. central nervous system disorders, are treated by administering to a patient in need thereof amine derivatives TARGACEPT, INC. 2003-09-30 US disclosed
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
US-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-10-18 US disclosed
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 US disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
EP-0652217-A1 N-substituted imidazole derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 1995-05-10 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0332064-A2 Benzocycloheptene derivatives, pharmaceutical preparations containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-13 EP disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 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-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, TPMT, HTR7 MAOB 151/4885MAOA 118/4885NPC1 688/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 MAOB 71/4885MAOA 108/4885NPC1 460/4885

“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.