SCHEMBL2615366

SCHEMBL2615366

CC1N=C(c2ccccc2)c2cc(F)ccc2N(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.55
LMNA P02545 1/20 0.55
PDE3A Q14432 1/20 0.55
GABRA1 P14867 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRA5 P31644 3/20 0.52
GABRA3 P34903 3/20 0.52
GABRA2 P47869 3/20 0.52
GABRB2 P47870 3/20 0.52
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
CCKBR P32239 6/20 0.50

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
SCHEMBL2615369 1.00 OPRK1 (0.55) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL2615367 0.92 LMNA (0.45) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL11464860 0.87 OPRK1 (0.55) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL13284572 0.86 OPRK1 (0.74) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL4819989 0.86 GABRA1 (0.72) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL11339291 0.85 OPRK1 (0.76) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL2922460 0.85 GABRA1 (0.55) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL2920548 0.85 GABRA1 (0.55) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL2923658 0.85 GABRA1 (0.55) OPRK1LMNAPDE3AGABRA1GABRG2
SCHEMBL11287064 0.85 OPRK1 (0.76) OPRK1LMNAPDE3AGABRA1GABRG2

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS OPRK1 2388/4885LMNA 1375/4885PDE3A 2933/4885

“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.