SCHEMBL6897368

SCHEMBL6897368

CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
CHRM1 P11229 4/20 0.50
CYP3A4 P08684 1/20 0.48
UGCG Q16739 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CTSL P07711 1/20 0.46
AVPR1A P37288 1/20 0.44

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
SCHEMBL27560030 1.00 HSD17B10 (0.51) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL6895349 1.00 HSD17B10 (0.51) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL6897866 0.95 CYP3A4 (0.47) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL27559992 0.95 CYP3A4 (0.47) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL27543469 0.94 HSD17B10 (0.49) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL6896871 0.94 HSD17B10 (0.49) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL6894601 0.91 ITGB3 (0.47) HSD17B10CYP3A4UGCGKMT2AMEN1
SCHEMBL27576381 0.91 ITGB3 (0.47) HSD17B10CYP3A4UGCGKMT2AMEN1
SCHEMBL27562662 0.91 P2RX7 (0.45) HSD17B10CHRM1CYP3A4UGCGALDH1A1
SCHEMBL6898836 0.91 P2RX7 (0.45) HSD17B10CHRM1CYP3A4UGCGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH HSD17B10 1909/4885CHRM1 340/4885CYP3A4 1139/4885

“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.