SCHEMBL15760641

SCHEMBL15760641

CC1CCN(CCCCCN2CCC(C)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.49
▸ HRH3 Q9Y5N1 11/20 0.46
▸ GNAI3 P08754 1/20 0.44
▸ GNAO1 P09471 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ PRMT8 Q9NR22 1/20 0.43

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
SCHEMBL9374563 0.93 SIGMAR1 (0.46) SIGMAR1HRH3CARM1PRMT6PRMT1
SCHEMBL15363082 0.92 GNAO1 (0.56) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL8345209 0.92 GNAO1 (0.56) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL1071607 0.92 GNAO1 (0.56) SIGMAR1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL23004447 0.90 GNAO1 (0.59) SIGMAR1GNAI3GNAO1GNAI1
Iodide SCHEMBL23004297 0.90 GNAO1 (0.55) SIGMAR1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL23004142 0.90 GNAO1 (0.59) SIGMAR1GNAI3GNAO1GNAI1
Iodide SCHEMBL23004334 0.90 GNAO1 (0.55) SIGMAR1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL23004147 0.90 GNAO1 (0.59) SIGMAR1GNAI3GNAO1GNAI1
Iodide SCHEMBL23004475 0.90 GNAO1 (0.55) SIGMAR1GNAI3GNAO1GNAI1

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-9408888-B2 High affinity bivalent helically constrained peptide against cancer COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-09 — — US disclosed
US-20140155331-A1 NOVEL HIGH AFFINITY BIVALENT HELICALLY CONSTRAINED PEPTIDE AGAINST CANCER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-06-05 — — 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-20140155331-A1 NOVEL HIGH AFFINITY BIVALENT HELICALLY CONSTRAINED PEPTIDE AGAINST CANCER S100B, TP53, S100P SIGMAR1 4008/4885HRH3 1554/4885GNAI3 3156/4885

“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.

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