SCHEMBL4372822

SCHEMBL4372822

c1ccc(NCc2cc3ccccc3cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
PDPK1 O15530 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13796417 0.81 ATM (0.50) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL3633864 0.78 ATM (0.51) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL6705337 0.78 ATM (0.47) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL15577710 0.76 MAPK1 (0.46) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL3636909 0.75 CYP1A2 (0.46) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL3634029 0.74 ATM (0.47) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL2314292 0.73 EGLN1 (0.48) ATML3MBTL1CYP1A2
SCHEMBL523447 0.72 MAOA (0.64) MAOAMAOBLTA4HTAAR1NPC1
SCHEMBL31613919 0.72 TACR1 (0.47) PDPK1ATML3MBTL1CYP1A2CYP2A6
SCHEMBL3121339 0.72 HTR2B (0.50) PDPK1ATML3MBTL1LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 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-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 MAOA 739/4885MAOB 1369/4885PDPK1 748/4885

“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.