SCHEMBL22374737

SCHEMBL22374737

CC(NC(C)(C)CCC(C)(C)COCCN1CCC(c2ccc(CNC(C)(C)C)cc2)CC1)c1ccc(C#CCOCCCOCC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ SIGMAR1 Q99720 3/20 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
SCHEMBL18592218 0.76 DRD2 (0.40) DRD2HTR2ASIGMAR1
SCHEMBL18591774 0.75 PRCP (0.42) DRD2HTR2A
SCHEMBL18591766 0.72 ACACB (0.33) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL23664608 0.69 HRH3 (0.41) DRD2SIGMAR1
SCHEMBL22965358 0.68 CARM1 (0.45) DRD2HTR2ASIGMAR1
SCHEMBL25053674 0.68 DRD2 (0.44) DRD2HTR2A
SCHEMBL21965867 0.68 DRD2 (0.46) DRD2HTR2A
SCHEMBL20133291 0.68 ACACB (0.33) —
SCHEMBL24920843 0.67 ACACB (0.33) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL26328562 0.66 ACACB (0.33) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 DRD2 4841/4885HTR2A 4487/4885HTR2C 4616/4885

“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.

Send feedback