SCHEMBL18855166

SCHEMBL18855166

CCCC(CC)c1cccc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.40
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.34
IDH1 O75874 2/20 0.33
ASIC3 Q9UHC3 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 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
SCHEMBL9877610 0.89 NOS2 (0.45) MCHR1NOS2NOS3NOS1IDH1
SCHEMBL22684510 0.87 MCHR1 (0.40) MCHR1NOS2NOS3
SCHEMBL19518849 0.82 MCHR1 (0.40) MCHR1NOS2NOS3NOS1
SCHEMBL25677207 0.80 MCHR1 (0.44) MCHR1NOS2NOS3NOS1IDH1
SCHEMBL19727223 0.80 HTT (0.40) NOS2NOS3NOS1
SCHEMBL24971835 0.79 MCHR1 (0.42) MCHR1NOS2NOS3
SCHEMBL19518873 0.79 MCHR1 (0.42) MCHR1NOS2NOS3
SCHEMBL22684219 0.79 MCHR1 (0.40) MCHR1NOS2NOS3NOS1
SCHEMBL23747174 0.79 L3MBTL1 (0.38) MCHR1IDH1
SCHEMBL18672443 0.78 MCHR1 (0.41) MCHR1NOS2NOS3

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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 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 (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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MCHR1 4658/4885NOS2 3566/4885NOS3 2328/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 MCHR1 4535/4885NOS2 3381/4885NOS3 1103/4885

“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.