SCHEMBL10165779

SCHEMBL10165779

Cc1cccc(-c2ccccc2CC2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3N(C)C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.53
LMNA P02545 1/20 0.53
PDE3A Q14432 1/20 0.53
PDE4D Q08499 2/20 0.47
HTR2B P41595 1/20 0.47
CCKBR P32239 11/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
KCNH2 Q12809 2/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
CACNA1F O60840 1/20 0.41
ALB P02768 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL10149301 0.94 OPRK1 (0.56) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL10149907 0.92 OPRK1 (0.60) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL10149305 0.89 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL2266878 0.88 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL14707955 0.87 OPRK1 (0.56) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL608039 0.87 OPRK1 (0.56) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL2267617 0.87 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL10149161 0.86 OPRK1 (0.49) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL11964629 0.86 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL2264923 0.86 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DHTR2B

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-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 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-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 OPRK1 46/4885LMNA 1390/4885PDE3A 1178/4885

“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.