SCHEMBL18708697

SCHEMBL18708697

CC(C)c1cc(F)ccc1CN

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
IDO1 P14902 3/20 0.37
AGXT P21549 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
RECQL P46063 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL25688971 0.85 MPO (0.39) MPOIDO1AGXTLOXL2HTR2C
SCHEMBL18926879 0.84 MPO (0.41) MPOIDO1AGXTLOXL2HTR2C
SCHEMBL30476381 0.82 MPO (0.42) MPOIDO1AGXTLOXL2HTR2A
SCHEMBL20818008 0.82 MPO (0.42) MPOIDO1AGXTLOXL2HTR2A
SCHEMBL14497956 0.82 RECQL (0.37) IDO1AGXTHRH4RECQLP2RX7
SCHEMBL27624245 0.80 MPO (0.39) MPO
SCHEMBL14485293 0.80 GABRA1 (0.36) IDO1AGXTHRH4HTR2CHTR2A
SCHEMBL11914795 0.80 ACE2 (0.41) RECQL
SCHEMBL25549445 0.78 IDO1 (0.37) IDO1AGXTHRH4HTR2CHTR2A
Hydrochloric Acid SCHEMBL5534751 0.78 PSEN1 (0.39) MPOIDO1AGXT

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
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
EP-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 EP 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-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MPO 2155/4885IDO1 3369/4885AGXT 2709/4885

“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.