SCHEMBL18536632

SCHEMBL18536632

CCCCN(CCC)CCSC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
DRD2 P14416 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM5A P29375 2/20 0.32
MAPT P10636 1/20 0.31
HTR1A P08908 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PHF8 Q9UPP1 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
SCHEMBL26351252 0.95 CA12 (0.34) KCNH2CA12CA1CA9ALDH1A1
SCHEMBL15196293 0.90 HTR1A (0.34) ALDH1A1DRD2DRD3HTR1ATSHR
SCHEMBL17346299 0.86 SLC2A1 (0.36) KCNH2CA12CA1CA9KDM5A
SCHEMBL21228041 0.86 KCNH2 (0.38) KCNH2CA12CA1CA9OPRM1
SCHEMBL218572 0.82 CA12 (0.42) KCNH2CA12CA1CA9ALDH1A1
SCHEMBL3480441 0.82 CA12 (0.42) KCNH2CA12CA1CA9ALDH1A1
SCHEMBL219200 0.82 CA12 (0.42) KCNH2CA12CA1CA9ALDH1A1
SCHEMBL17346148 0.80 ALDH1A1 (0.33) ALDH1A1KDM5ATSHR
Fluoride SCHEMBL7561486 0.79 CA12 (0.40) KCNH2CA12CA1CA9ALDH1A1
Hydrochloric Acid SCHEMBL8540929 0.79 DNM1 (0.41) KCNH2CA12CA1CA9KDM5A

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-20230293429-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS RECODE THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP 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-20230293429-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS CHMP4B, LIPA, NPC1L1 KCNH2 3603/4885CA12 986/4885CA1 1231/4885

“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.