SCHEMBL13010704

SCHEMBL13010704

CCN1CCCC(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
SHBG P04278 1/20 0.33

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
SCHEMBL19214879 0.98 KDM4E (0.41) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL27346203 0.91 KDM4E (0.40) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL824152 0.91 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL15292513 0.85 CYP3A4 (0.36) KDM4ECYP2D6
SCHEMBL1615683 0.85 CYP3A4 (0.36) KDM4ECYP2D6
SCHEMBL13542421 0.85 CYP3A4 (0.36) KDM4ECYP2D6
SCHEMBL23965559 0.83 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2HSD11B1CYP2D6KMT2A
SCHEMBL14519150 0.83 DRD2 (0.41) SMN1; SMN2
SCHEMBL22737188 0.81 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL14519151 0.80 KMT2A (0.39) KDM4ESMN1; SMN2OPRM1OPRL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283263-A1 CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME FOGHORN THERAPEUTICS INC. (US) 2023-01-12 WO disclosed
US-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-01-27 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
WO-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 WO disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 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 (3 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 KDM4E 4083/4885SMN1; SMN2 2797/4885HSD11B1 1/4885
US-10012650-B2 Assays for BTK inhibitors BTK, SYK, LYN KDM4E 692/4885SMN1; SMN2 4495/4885HSD11B1 3499/4885
US-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR KDM4E 3296/4885SMN1; SMN2 3654/4885HSD11B1 538/4885

“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.