SCHEMBL6401701

SCHEMBL6401701

CCCCCCN[C@@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.51
GNAO1 P09471 4/20 0.51
GNAI1 P63096 4/20 0.51
PRCP P42785 3/20 0.51
GBA1 P04062 7/20 0.44
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 1/20 0.39
NAAA Q02083 1/20 0.38

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
SCHEMBL10945126 1.00 GNAI3 (0.51) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL10906234 0.98 PRCP (0.49) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL2270943 0.92 PRCP (0.42) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL7041937 0.86 GNAI3 (0.56) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL7042804 0.86 GNAI3 (0.56) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL3644949 0.84
SCHEMBL11302086 0.84 GNAI3 (0.53) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL20192539 0.80 RAD52 (0.31) PRCP
SCHEMBL7043466 0.78 GNAI3 (0.50) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL1952601 0.78 CXCR4 (0.32)

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-20050101567-A1 Substituted cyclic amine metalloprotease inhibitors NATCHUS MICHAEL G (US) 2005-05-12 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-20050101567-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 GNAI3 3551/4885GNAO1 3252/4885GNAI1 3074/4885

“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.