SCHEMBL21145496

SCHEMBL21145496

OC1(O)CCCCCCNCCCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CXCR4 P61073 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21142861 1.00 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL21142867 1.00 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL21145820 0.97 ALDH1A1 (0.50) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL21145505 0.97 ALDH1A1 (0.50) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL28755707 0.82
SCHEMBL27175 0.80
SCHEMBL21624980 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL50228 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3168987 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4955809 0.80 ALDH1A1 (0.42) ALDH1A1

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-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 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 (2 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C ALDH1A1 448/4885CXCR4 4244/4885SMN1; SMN2 341/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ALDH1A1 448/4885CXCR4 4244/4885SMN1; SMN2 341/4885

“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.