SCHEMBL6472982

SCHEMBL6472982

CC(C)(C)OC(=O)N1Cc2c(O)cccc2CC1C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DRD2 P14416 3/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL30207832 0.85 HSD11B1 (0.41) HSD11B1NAMPTMEN1KMT2AUCHL1
SCHEMBL19667491 0.85 HSD11B1 (0.41) HSD11B1NAMPTMEN1KMT2AUCHL1
SCHEMBL15334651 0.83 NAMPT (0.49) NAMPTMEN1KMT2AMAPK1DRD2
SCHEMBL30069435 0.83 NAMPT (0.49) NAMPTMEN1KMT2AMAPK1DRD2
SCHEMBL30167033 0.83 NAMPT (0.49) NAMPTMEN1KMT2AMAPK1DRD2
SCHEMBL2081527 0.83 NAMPT (0.49) NAMPTMEN1KMT2AMAPK1DRD2
SCHEMBL894532 0.83 NAMPT (0.49) NAMPTMEN1KMT2AMAPK1DRD2
SCHEMBL3920405 0.83 NAMPT (0.49) NAMPTMEN1KMT2AMAPK1DRD2
SCHEMBL6471376 0.82 HSD11B1 (0.44) HSD11B1UCHL1DDB1CRBNMAPK1
SCHEMBL6477421 0.81 DRD3 (0.40) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 — — US disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 — — WO disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 — — 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 HSD11B1 479/4885NAMPT 4770/4885MEN1 867/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 HSD11B1 3617/4885NAMPT 3632/4885MEN1 3229/4885

“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.

Send feedback