SCHEMBL3189233

SCHEMBL3189233

Oc1ccc2c(c1)CCCN2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ADRB3 P13945 3/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
HDAC1 Q13547 9/20 0.52
HDAC6 Q9UBN7 9/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC3 O15379 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
HDAC10 Q969S8 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
SIGMAR1 Q99720 2/20 0.49
CYP2C19 P33261 1/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 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
SCHEMBL14283951 0.92 HDAC1 (0.59) ACHEHDAC1HDAC6HDAC8HDAC3
SCHEMBL16494456 0.91 ALOX5 (0.51) ACHEADRB3ADRB2ADRB1SIGMAR1
Hydrochloric Acid SCHEMBL16495178 0.90 ALOX5 (0.50) ACHEADRB3ADRB2ADRB1SIGMAR1
SCHEMBL4975930 0.88 CHRM2 (0.56) ACHEADRB3ADRB2ADRB1HDAC1
SCHEMBL31476393 0.84 ADRB3 (0.52) ACHEADRB3ADRB2ADRB1HDAC1
SCHEMBL8118083 0.82 ADRB3 (0.50) ACHEADRB3ADRB2ADRB1HDAC1
SCHEMBL28301164 0.82 ADRB3 (0.50) ACHEADRB3ADRB2ADRB1HDAC1
SCHEMBL29880799 0.82 ADRB3 (0.50) ACHEADRB3ADRB2ADRB1HDAC1
SCHEMBL9204870 0.82 ADRB3 (0.50) ACHEADRB3ADRB2ADRB1HDAC1
SCHEMBL15332179 0.82 ADRB3 (0.50) ACHEADRB3ADRB2ADRB1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655801-B2 Substituted carbamic acid quinolin-6-yl esters useful as acetylcholinesterase inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-02 US disclosed
EP-1831172-B1 SUBSTITUTED CARBAMIC ACID QUINOLIN-6-YL ESTERS USEFUL AS ACETYLCHOLINESTERASE INHIBITORS COUNCIL SCIENT IND RES (IN) 2009-02-18 EP disclosed
EP-1831172-A1 SUBSTITUTED CARBAMIC ACID QUINOLIN-6-YL ESTERS USEFUL AS ACETYLCHOLINESTERASE INHIBITORS Council of Scientific and Industrial Research (IN) 2007-09-12 EP disclosed
WO-2006070394-A1 SUBSTITUTED CARBAMIC ACID QUINOLIN-6-YL ESTERS USEFUL AS ACETYLCHOLINESTERASE INHIBITORS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-06 WO disclosed
US-20060142335-A1 Substituted carbamic acid quinolin-6-yl esters useful as acetylcholinesterase inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2006-06-29 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 (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-20060142335-A1 Substituted carbamic acid quinolin-6-yl esters useful as acetylcholinesterase inhibitors ACHE, BCHE, NAAA ACHE 1/4885ADRB3 1783/4885ADRB2 2357/4885

“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.