SCHEMBL4155203

SCHEMBL4155203

NC1=Nc2cc(F)ccc2C[N]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.41
NOS3 P29474 4/20 0.38
NOS2 P35228 3/20 0.38
NOS1 P29475 2/20 0.38
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.32
ROCK1 Q13464 1/20 0.31
KDM1A O60341 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31
TYMS P04818 1/20 0.31
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL4158436 0.85 HTR5A (0.41) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL3655768 0.68 NOS3 (0.39) HTR5ANOS3NOS2NOS1MAPK1
SCHEMBL3655765 0.68 NOS3 (0.39) HTR5ANOS3NOS2NOS1MAPK1
SCHEMBL3655907 0.67 NOS3 (0.41) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL3648624 0.65 HTR5A (0.36) HTR5ANOS3NOS2NOS1MAPK1
SCHEMBL884168 0.64 PARP1 (0.35) HTR5ANOS3NOS2NOS1MAPK1
SCHEMBL2595216 0.64 MAPK1 (0.35) HTR5ANOS3NOS2NOS1MAPK1
SCHEMBL20962141 0.62 MAPK1 (0.43) HTR5ANOS3NOS2NOS1MAPK1
SCHEMBL30089882 0.62 NPC1 (0.38) NOS3NOS2NOS1MAPK1ALDH1A1
SCHEMBL26178987 0.62 MAPK1 (0.43) HTR5ANOS3NOS2NOS1MAPK1

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-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US claimed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 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-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR HTR5A 119/4885NOS3 4270/4885NOS2 4467/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR HTR5A 119/4885NOS3 4270/4885NOS2 4467/4885

“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.