SCHEMBL18251698

SCHEMBL18251698

Cc1cc(Cl)cc(CNC(=O)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.50
▸ ERCC4 Q92889 1/20 0.50
▸ MASP2 O00187 1/20 0.48
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TACR1 P25103 2/20 0.42
▸ WDR5 P61964 1/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ PTGES O14684 6/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL8310570 0.90 ERCC1 (0.56) ERCC1ERCC4MASP2CARM1PRMT6
SCHEMBL20428059 0.88 ERCC1 (0.57) ERCC1ERCC4CARM1PRMT6LMNA
SCHEMBL18251700 0.82 ERCC1 (0.55) ERCC1ERCC4CARM1PRMT6CYP2D6
SCHEMBL18251695 0.81 ERCC1 (0.50) ERCC1ERCC4CARM1PRMT6LMNA
SCHEMBL12864453 0.77 ERCC1 (0.58) ERCC1ERCC4MASP2LMNAMEN1
SCHEMBL21565748 0.77 TACR1 (0.53) ERCC1ERCC4TACR1
SCHEMBL8310068 0.76 MEN1 (0.63) ERCC1ERCC4CARM1PRMT6LMNA
SCHEMBL28276130 0.76 CARM1 (0.45) ERCC1ERCC4CARM1PRMT6LMNA
SCHEMBL12757442 0.75 ERCC1 (0.59) ERCC1ERCC4CYP2D6CYP2C19NPC1
SCHEMBL5025058 0.75 TACR1 (0.50) ERCC1ERCC4MASP2CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656962-B2 Ring-contracted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2017-05-23 — — US disclosed
US-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF PURDUE PHARMA L.P. 2016-11-24 — — 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-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF OPRM1, OPRL1, OPRK1 ERCC1 4732/4885ERCC4 4747/4885MASP2 3670/4885

“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.

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