SCHEMBL18844862

SCHEMBL18844862

CC(C)NCC1CCS(C)(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
HTR2C P28335 1/20 0.31
HTT P42858 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
SCHEMBL17369631 0.81 SIGMAR1 (0.45) SIGMAR1HTR2CHTT
SCHEMBL104225 0.81
SCHEMBL13884246 0.81 SIGMAR1 (0.45) SIGMAR1HTR2CHTT
SCHEMBL104945 0.81 KDM4E (0.40) SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL21879609 0.79
SCHEMBL105260 0.79 HTT (0.41) SIGMAR1HTR2CHTT
SCHEMBL104968 0.79
SCHEMBL14176594 0.77 ADH1B (0.44) SIGMAR1HTT
SCHEMBL22899465 0.77 ADH1B (0.44) SIGMAR1HTT
SCHEMBL104714 0.77 ADH1B (0.44) SIGMAR1HTT

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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 SIGMAR1 1764/4885HTR2C 1814/4885HTT 2241/4885

“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.