SCHEMBL19214879

SCHEMBL19214879

CCN1CCCC(C(C)C)CCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP2D6 P10635 2/20 0.35
KMT2A Q03164 1/20 0.35
SHBG P04278 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13010704 0.98 KDM4E (0.40) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL27346203 0.93 KDM4E (0.40) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL824152 0.88 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2HSD11B1OPRM1OPRL1
SCHEMBL13542421 0.87 CYP3A4 (0.36) KDM4ECYP2D6CYP1A2CYP3A4
SCHEMBL15292513 0.87 CYP3A4 (0.36) KDM4ECYP2D6CYP1A2CYP3A4
SCHEMBL1615683 0.87 CYP3A4 (0.36) KDM4ECYP2D6CYP1A2CYP3A4
SCHEMBL23965559 0.81 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2HSD11B1CYP2D6KMT2A
SCHEMBL14543763 0.81 SHBG (0.35) KDM4EHSD11B1OPRM1OPRL1CYP2D6
SCHEMBL14519150 0.81 DRD2 (0.41) SMN1; SMN2
SCHEMBL14519155 0.81 SHBG (0.35) KDM4EHSD11B1OPRM1OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 US disclosed
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 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 (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-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 KDM4E 2033/4885SMN1; SMN2 306/4885HSD11B1 3434/4885

“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.