SCHEMBL155100

SCHEMBL155100

CC(C)(C)OC(=O)N1C2CCC1c1c([nH]c3cc(Br)ccc13)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
SIGMAR1 Q99720 10/20 0.42
CDK1 P06493 1/20 0.39
ALK Q9UM73 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 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
SCHEMBL12626743 0.92 CDK1 (0.47) MCHR1SIGMAR1CDK1CHRM2CHRM1
SCHEMBL2810909 0.85 SIGMAR1 (0.60) SIGMAR1
SCHEMBL156880 0.85 MCHR1 (0.46) MCHR1SIGMAR1
SCHEMBL22000226 0.81 SIGMAR1 (0.55) SIGMAR1
SCHEMBL1985805 0.81 SIGMAR1 (0.44) MCHR1SIGMAR1CDK1CYP1A2CYP2D6
SCHEMBL1988736 0.79 SIGMAR1 (0.42) MCHR1SIGMAR1CDK1CHRM2CHRM1
SCHEMBL154324 0.77 USP30 (0.37) MCHR1CDK1CHRM2CHRM1CHRM3
SCHEMBL15781420 0.77 CHRM2 (0.36) CDK1CHRM2CHRM1CHRM3KCNK3
SCHEMBL155655 0.77 MCHR1 (0.45) MCHR1SIGMAR1CDK1CHRM2CHRM1
SCHEMBL1992105 0.77 MCHR1 (0.47) MCHR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629158-B2 Azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-14 US disclosed
US-8629158-B2 Azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-14 US disclosed
US-8629158-B2 Azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-14 US disclosed
US-20120058939-A9 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20120058939-A9 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20120058939-A9 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003007-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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 (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-20120058939-A9 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MCHR1 1/4885SIGMAR1 135/4885CDK1 2199/4885
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MCHR1 1/4885SIGMAR1 135/4885CDK1 2199/4885

“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.