SCHEMBL26326524

SCHEMBL26326524

CCC1CC2(C)CC3c4oc5ccc(OC)cc5c4CCN(C2)C13C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.32
▸ DRD4 P21917 4/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRKDC P78527 1/20 0.32

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
SCHEMBL26323050 0.87 CYP1A2 (0.34) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL19630691 0.81 SLC6A4 (0.39) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL19630692 0.74 SLC6A4 (0.42) DRD2DRD4KDM4EALDH1A1HPGD
SCHEMBL26930631 0.72 SLC6A4 (0.39) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL26323051 0.67 CYP1A2 (0.34) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL19630693 0.65 SLC6A4 (0.65) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL26837612 0.64 HRH4 (0.41) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL26838609 0.63 HDAC1 (0.40) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL17793540 0.62 SLC6A4 (0.55) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL26837609 0.62 MAOA (0.40) KDM4EALDH1A1HPGDNPC1MAPT

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-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 — — 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-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 DRD2 139/4885DRD4 212/4885KDM4E 1372/4885

“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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