SCHEMBL3655907

SCHEMBL3655907

NC1=Nc2ccc(Cl)cc2C[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
HTR5A P47898 4/20 0.41
HTR3A P46098 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
DRD4 P21917 2/20 0.41
HTR1D P28221 2/20 0.41
HTR7 P34969 2/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ACHE P22303 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL3649471 0.85 CTSD (0.42) NOS3NOS1NOS2HTR5AHTR3A
SCHEMBL3657661 0.72 NOS3 (0.50) NOS3NOS1NOS2HTR5APDE3B
SCHEMBL482113 0.68 TSHR (0.39) NOS3NOS1NOS2HTR3AHTR2B
SCHEMBL3653171 0.68 TSHR (0.39) NOS3NOS1NOS2HTR2BACHE
SCHEMBL19270193 0.68 HTR5A (0.38) NOS3NOS1NOS2HTR5AHTR3A
SCHEMBL4155203 0.67 HTR5A (0.41) NOS3NOS1NOS2HTR5AACHE
SCHEMBL16799851 0.66 PDE3B (0.48) NOS3NOS1NOS2HTR3APDE3B
SCHEMBL29293278 0.65 PDE3B (0.41) NOS3NOS1NOS2HTR5AHTR3A
SCHEMBL3654837 0.65 HTR2A (0.38) NOS3NOS1NOS2HTR5AHTR3A
SCHEMBL30349406 0.65 OPRK1 (0.45) HTR5AHTR3AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215067-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP claimed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US claimed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO 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 NOS3 4270/4885NOS1 3792/4885NOS2 4467/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR NOS3 4270/4885NOS1 3792/4885NOS2 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.