SCHEMBL3659080

SCHEMBL3659080

CC(C)Nc1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
FFAR1 O14842 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FLT3 P36888 1/20 0.35
GRM5 P41594 1/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 2/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL3661769 0.86 KDM4E (0.37) CYP1A2SMN1; SMN2LMNAGRM5CYP2A6
SCHEMBL3667875 0.84 GPR39 (0.37) CYP1A2SMN1; SMN2LMNAL3MBTL1GRM5
SCHEMBL3717702 0.81 IRAK1 (0.44) CYP1A2FFAR1TRPM8MAPTSMN1; SMN2
SCHEMBL3664859 0.81 GPR39 (0.51) TRPM8MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3663909 0.81 GPR39 (0.54) TRPM8MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3665002 0.81 GPR39 (0.47) TRPM8FLT3MAPK14GPR39
SCHEMBL3664081 0.80 GPR39 (0.49) CYP1A2GABRG2GABRB3GABRA5GABRA3
SCHEMBL3662536 0.78 GPR39 (0.55) TRPM8FLT3GPR39
SCHEMBL3663765 0.78 CCR1 (0.40) CYP1A2SMN1; SMN2LMNAL3MBTL1GRM5
SCHEMBL3664991 0.77 MDM2 (0.41) CYP1A2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO claimed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK CYP1A2 616/4885GABRA1 3027/4885GABRG2 3823/4885

“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.