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SCHEMBL158672

SCHEMBL158672

Cn1c2c(c3ccc(Br)nc31)C1CCCC(C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.39
▸ MCHR1 Q99705 3/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32

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
SCHEMBL158631 0.95 MCHR1 (0.37) KAT2BMCHR1CHRM2CHRM1CHRM3
SCHEMBL157110 0.86 MCHR1 (0.35) MCHR1CHRM2CHRM1CHRM3
SCHEMBL158212 0.82 MCHR1 (0.41) KAT2BMCHR1CHRM2CHRM1CHRM3
SCHEMBL155080 0.81 MCHR1 (0.40) MCHR1
SCHEMBL155655 0.76 MCHR1 (0.45) MCHR1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1988713 0.74 CHRM2 (0.36) KAT2BMCHR1CHRM2CHRM1CHRM3
SCHEMBL156804 0.74 MCHR1 (0.49) MCHR1
SCHEMBL157447 0.74 MCHR1 (0.71) MCHR1
SCHEMBL157445 0.72 MCHR1 (0.68) MCHR1
SCHEMBL154324 0.70 USP30 (0.37) MCHR1CHRM2CHRM1CHRM3JAK1

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
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-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

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 KAT2B 2632/4885MCHR1 1/4885CHRM2 193/4885
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 KAT2B 2632/4885MCHR1 1/4885CHRM2 193/4885

“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.