Sugi Predict

Sugi Predict / Compounds / SCHEMBL3115083

SCHEMBL3115083

SCHEMBL3115083

Cc1ccc(CC2N=C(c3ccc(F)cc3)c3cc(Cl)ccc3N(C)C2=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ ROCK2 O75116 4/20 0.43
▸ PDE4D Q08499 2/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSPO P30536 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL8985784 0.90 OPRK1 (0.51) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL3235140 0.90 OPRK1 (0.50) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL3229693 0.88 OPRK1 (0.50) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL3228363 0.88 OPRK1 (0.50) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL3227386 0.88 LMNA (0.50) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL607122 0.88 OPRK1 (0.48) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL15826785 0.88 OPRK1 (0.48) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL3235884 0.86 OPRK1 (0.48) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL4101662 0.86 OPRK1 (0.50) OPRK1LMNAPDE3AROCK2PDE4D
SCHEMBL3234174 0.86 OPRK1 (0.46) OPRK1LMNAPDE3AROCK2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 — — US claimed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 — — EP claimed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 — — WO claimed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB OPRK1 118/4885LMNA 2002/4885PDE3A 2780/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB OPRK1 118/4885LMNA 2002/4885PDE3A 2780/4885

“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.