SCHEMBL19787861

SCHEMBL19787861

CCCC(C)(C)C1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
PRCP P42785 1/20 0.30

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
SCHEMBL22022347 0.94 CCR2 (0.35) CYP1A2
SCHEMBL21180382 0.94 CCR2 (0.35) CYP1A2
SCHEMBL21707875 0.88 PRCP (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL24926377 0.85 PRCP (0.40) PRCP
SCHEMBL26775584 0.85 PRCP (0.40) PRCP
SCHEMBL26273797 0.85 PRCP (0.40) PRCP
SCHEMBL19387319 0.83 KDM4E (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL21191731 0.82 CYP1A2 (0.36) CYP1A2PRCP
SCHEMBL23634135 0.81 CCR2 (0.38) CYP1A2PRCP
SCHEMBL22023689 0.80 CCR2 (0.40) CYP1A2PRCP

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
WO-2023086432-A1 PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF EMORY UNIVERSITY (US) 2023-05-19 WO disclosed
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
EP-3661925-B1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LTD (IE) 2021-11-24 EP disclosed
US-9872918-B2 Hydroxyl-polymer-drug-protein conjugates MERSANA THERAPEUTICS, INC. (US) 2018-01-23 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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 KDM4E 458/4885NPC1 1248/4885CYP1A2 657/4885

“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.