SCHEMBL5332629

SCHEMBL5332629

NC(=O)c1ccc2c(c1)CCc1cc(CNCC3CCCCCC3)ccc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.58
OPRD1 P41143 5/20 0.58
OPRK1 P41145 5/20 0.58
HDAC6 Q9UBN7 5/20 0.53
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NAMPT P43490 1/20 0.40
SNCA P37840 1/20 0.39
MLYCD O95822 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
RAB9A P51151 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
CA2 P00918 1/20 0.38
CHEK2 O96017 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4965887 1.00 OPRM1 (0.58) OPRM1OPRD1OPRK1HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL4964203 0.93 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL4968050 0.89 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL4964378 0.85 HDAC1 (0.52) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL4966804 0.85 HDAC1 (0.52) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL4968562 0.84 HDAC6 (0.45) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL4965903 0.81 OPRM1 (0.61) OPRM1OPRD1OPRK1NAMPTRAB9A
SCHEMBL4964153 0.80 OPRM1 (0.56) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL3090215 0.79 HDAC6 (0.71) OPRM1OPRD1OPRK1HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL4966249 0.78 HDAC6 (0.40) OPRM1OPRD1OPRK1HDAC6HDAC1

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-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US claimed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 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 (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-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 5/4885OPRK1 1/4885

“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.