SCHEMBL7073387

SCHEMBL7073387

COc1cc2c(cc1C)NC(C)(C)C=C2C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.71
▸ ALDH1A1 P00352 7/20 0.71
▸ HPGD P15428 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ HSD17B10 Q99714 4/20 0.71
▸ LMNA P02545 2/20 0.71
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ PGR P06401 12/20 0.50
▸ AR P10275 1/20 0.50
▸ TDP1 Q9NUW8 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL30973139 0.83 KDM4E (0.83) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL21635519 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL29430126 0.75 ALDH1A1 (0.97) KDM4EALDH1A1HPGDMAPTHSD17B10
Bromide SCHEMBL7802438 0.73 ALDH1A1 (0.94) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7076359 0.73 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL3523036 0.71 ALDH1A1 (0.60) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL4702454 0.71 NR3C1 (0.70) ALDH1A1HSD17B10PGRTDP1CYP3A4
SCHEMBL31489985 0.69 ALDH1A1 (0.73) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL941508 0.69 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL23457078 0.69 ALDH1A1 (0.77) KDM4EALDH1A1HPGDMAPTHSD17B10

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-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 — — US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 — — 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 (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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 KDM4E 4560/4885ALDH1A1 390/4885HPGD 537/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885ALDH1A1 3738/4885HPGD 3840/4885

“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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