Sugi Predict

Sugi Predict / Compounds / SCHEMBL217048

SCHEMBL217048

SCHEMBL217048

c1ccc(N2CNCC23CCNCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.51
▸ TSHR P16473 6/20 0.47
▸ USP2 O75604 10/20 0.46
▸ CYP2D6 P10635 9/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ HTR2A P28223 3/20 0.43
▸ ALDH1A1 P00352 8/20 0.41
▸ CYP3A4 P08684 7/20 0.41
▸ CYP2C19 P33261 5/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP1A2 P05177 7/20 0.40
▸ TP53 P04637 5/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ HIF1A Q16665 2/20 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
SCHEMBL23496630 0.86 HSD17B10 (0.41) HSD17B10TSHRUSP2CYP2D6OPRM1
SCHEMBL6012283 0.84 USP2 (0.49) HSD17B10TSHRUSP2CYP2D6OPRM1
SCHEMBL5174719 0.83 HSD17B10 (0.39) HSD17B10TSHRUSP2CYP2D6OPRM1
SCHEMBL20224849 0.78 USP2 (0.53) HSD17B10TSHRUSP2CYP2D6OPRM1
SCHEMBL9998390 0.78 USP2 (0.39) HSD17B10TSHRUSP2CYP2D6OPRM1
Hydrochloric Acid SCHEMBL17848669 0.76 USP2 (0.51) HSD17B10TSHRUSP2CYP2D6OPRM1
SCHEMBL746085 0.76 SIGMAR1 (0.47) HSD17B10TSHRUSP2CYP2D6HTR2A
SCHEMBL7010936 0.75 CYP2D6 (0.53) HSD17B10TSHRUSP2CYP2D6OPRM1
SCHEMBL25231778 0.72 OPRM1 (0.32) HSD17B10OPRM1
SCHEMBL7587764 0.68 HSD17B10 (1.00) HSD17B10OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 — — US disclosed
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 — — US disclosed
US-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US disclosed
EP-1888615-B1 17 -HSD1 AND STS INHIBITORS ABBOTT PRODUCTS GMBH (DE) 2012-05-16 — — EP disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — US disclosed
EP-2099814-A1 SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2009-09-16 — — EP disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP disclosed
WO-2008065100-A1 SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-06-05 — — WO disclosed
EP-1888615-A1 17 -HSD1 AND STS INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2008-02-20 — — EP disclosed
US-20060281710-A1 17SS-HSD1 and STS inhibitors SOLVAY PHARMACEUTICALS GMBH 2006-12-14 — — US disclosed
WO-2006125800-A1 17β-HSD1 AND STS INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2006-11-30 — — WO disclosed
EP-1685150-A2 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-08-02 — — EP disclosed
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 — — US disclosed
WO-2005047303-A2 NOVEL 17β HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-26 — — WO disclosed
EP-0040639-B1 ISOXAZOLE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-05-30 — — 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 (5 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-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS HSD17B11, HSD17B1, HSD17B2 HSD17B10 18/4885TSHR 2087/4885USP2 735/4885
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 HSD17B10 20/4885TSHR 2106/4885USP2 1907/4885
US-20060281710-A1 17SS-HSD1 and STS inhibitors HSD17B11, HSD17B1, STS HSD17B10 23/4885TSHR 1276/4885USP2 2173/4885
US-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 HSD17B10 25/4885TSHR 1294/4885USP2 1964/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 HSD17B10 1206/4885TSHR 3195/4885USP2 4599/4885

“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.