SCHEMBL4474810

SCHEMBL4474810

CC(C)(C)OC(=O)N1CCCCC1I

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.44
PREP P48147 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL12614671 0.95 HSD17B10 (0.51) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL16481774 0.95 HSD17B10 (0.51) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL21761369 0.87 CHRM2 (0.43) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL7958092 0.87 CHRM2 (0.43) HSD17B10HPGDEPHX1PREPSMN1; SMN2
Hydrochloric Acid SCHEMBL26106720 0.81 HSD17B10 (0.49) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL1427524 0.81 HSD17B10 (0.48) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL12486284 0.81 HSD17B10 (0.48) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL7005690 0.81 HPGD (0.49) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL3434909 0.81 HSD17B10 (0.48) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL7002987 0.81 HPGD (0.49) HSD17B10HPGDEPHX1PREPSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339370-A Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV 2016-02-17 CN disclosed
CN-105143221-A Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV 2015-12-09 CN disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-20050250781-A1 Heterarylpiperidine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-11-10 US disclosed
EP-0901489-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
WO-1997044339-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO 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-20050250781-A1 Heterarylpiperidine modulators of chemokine receptor activity CCR1, CCR2, CCRL2 HSD17B10 779/4885HPGD 706/4885EPHX1 555/4885

“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.