SCHEMBL14000463

SCHEMBL14000463

CC(C)(C)CCc1ccc2c(c1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KCNH2 Q12809 4/20 0.42
▸ CHRM2 P08172 3/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ CHRM3 P20309 3/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ KCNE1 P15382 1/20 0.41

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
SCHEMBL10254340 0.83 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL1276487 0.81 RAB9A (0.46) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL21783617 0.81 TAAR1 (0.47) RAB9ANPC1
SCHEMBL11927944 0.79 RAB9A (0.42) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL14015076 0.79 RAB9A (0.44) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL292900 0.78 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL1317917 0.78 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL2035570 0.78 PRKCI (0.49) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL2773998 0.78 TAAR1 (0.56) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL29997560 0.78 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312455-A1 Method For Determining Enantiomeric Purity Of Darifenacin And Intermediates MEDICHEM, S.A. (ES) 2008-12-18 — — US disclosed
US-20080312455-A1 Method For Determining Enantiomeric Purity Of Darifenacin And Intermediates MEDICHEM, S.A. (ES) 2008-12-18 — — 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-20080312455-A1 Method For Determining Enantiomeric Purity Of Darifenacin And Intermediates OPRL1, ADRB3, ADRB1 RAB9A 2725/4885KDM1A 3269/4885MAOA 271/4885

“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.

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