SCHEMBL6984019

SCHEMBL6984019

O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.59
ADRA1A P35348 5/20 0.56
DRD2 P14416 1/20 0.53

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
SCHEMBL6983350 0.91 HTR1A (0.55) HTR1AADRA1ADRD2
SCHEMBL5654896 0.83 ALDH1A1 (0.57) HTR1A
SCHEMBL6985229 0.81 NPC1 (0.55)
SCHEMBL6983237 0.81 HTR1A (0.63) HTR1AADRA1A
SCHEMBL14525211 0.80 PLA2G7 (0.45) HTR1A
SCHEMBL6981877 0.79 HTR1A (0.62) HTR1AADRA1A
SCHEMBL19984361 0.79 HTR1A (0.50) HTR1AADRA1ADRD2
SCHEMBL19971721 0.77 HTR1A (0.58) HTR1AADRA1A
Methane SCHEMBL7459255 0.75 HTR1A (0.57) HTR1AADRA1A
SCHEMBL21066834 0.74 HTR1A (1.00) HTR1AADRA1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 US disclosed
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 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 (1 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-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885ADRA1A 82/4885DRD2 24/4885

“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.