SCHEMBL14012602

SCHEMBL14012602

N#Cc1ccc2c(c1)Oc1ccccc1C2C1CCN(C(=O)CF)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ SCD5 Q86SK9 2/20 0.36
▸ SCD O00767 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HCRTR1 O43613 3/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL5090995 0.87 HSD17B1 (0.46) HSD17B1HSD17B2SCD5SCDMGLL
SCHEMBL4514314 0.76 HSD17B1 (0.47) HSD17B1HSD17B2MGLLKDM1ADRD2
SCHEMBL4507868 0.71 SLC6A2 (0.44) HSD17B1HSD17B2KDM4EALDH1A1HSD17B10
SCHEMBL5091095 0.70 PGR (0.38) KDM1ACHRM2CHRM1CHRM3CYP2C19
SCHEMBL4519627 0.70 GPR119 (0.47) HSD17B1HSD17B2IRAK4CHRM2CHRM1
SCHEMBL5097362 0.69 GPR119 (0.44) IRAK4ALDH1A1
SCHEMBL5103709 0.67 GPR142 (0.40) SCD5ALDH1A1
SCHEMBL3658864 0.67 CHRM2 (0.44) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL5094870 0.66 SIGMAR1 (0.39) KDM4ECYP1A2CYP2D6CYP2C19DRD2
SCHEMBL5090969 0.66 SLC9A1 (0.38) KDM1ACHRM2CHRM1CHRM3CYP3A4

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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — 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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HSD17B1 769/4885HSD17B2 920/4885IRAK4 2333/4885

“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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