SCHEMBL19214872

SCHEMBL19214872

CCCc1ccc(CC(CC)NCc2nccn2C)nc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.35
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 2/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL20032159 0.80 OPRK1 (0.44) OPRK1TRPM5MEN1KMT2AHRH3
SCHEMBL20661479 0.74 SMN1; SMN2 (0.39) ADAMTS5KMT2ASLC6A4
SCHEMBL20661465 0.73 SLC6A4 (0.40) HRH3SLC6A4
SCHEMBL20661500 0.72 SLC6A4 (0.52) SLC6A4
SCHEMBL20661538 0.72 SMN1; SMN2 (0.41) MEN1KMT2ACYP1A2SLC6A4
SCHEMBL20661522 0.72 HRH3 (0.43) HRH3CYP1A2CYP2D6
SCHEMBL20661470 0.72 HRH3 (0.33) MEN1KMT2AHRH3CYP1A2CYP2D6
SCHEMBL20661471 0.71 NPC1 (0.33) SLC6A4
SCHEMBL20032162 0.70 ATAD2 (0.40) OPRK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL20661472 0.70 ITGB1 (0.37) MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 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 (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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 OPRK1 2869/4885TRPM5 1025/4885ADAMTS4 1590/4885

“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.