SCHEMBL12543777

SCHEMBL12543777

CC(C)(C)C(C)(C)NCCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
OPRL1 P41146 13/20 0.35
BRD4 O60885 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL24853530 0.83 KDM1A (0.39) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL12359990 0.82 KCNH3 (0.34) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL10153790 0.74 SIGMAR1 (0.42) KDM1AMAOAMAOBCHRM2CHRM1
Hydrochloric Acid SCHEMBL2986284 0.72 SIGMAR1 (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL21099156 0.71 CHRM2 (0.43) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL18123340 0.70 KDM1A (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL20551151 0.70 KDM1A (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL4489613 0.70 KDM1A (0.41) KDM1AMAOAMAOBCHRM2CHRM1
Hydrochloric Acid SCHEMBL21061372 0.69 CHRM2 (0.42) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL17250048 0.69 KDM1A (0.38) KDM1AMAOAMAOBCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-8299103-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 US disclosed
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM1A 3646/4885MAOA 2000/4885MAOB 1484/4885
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM1A 3646/4885MAOA 2000/4885MAOB 1484/4885

“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.