SCHEMBL18523566

SCHEMBL18523566

CCCCCCC(C)(C)CN1CCC(C)(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.33
GNAO1 P09471 2/20 0.30
GNAI3 P08754 1/20 0.30
GNAI1 P63096 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL18524944 0.83 S1PR1 (0.33) S1PR1S1PR3S1PR5
SCHEMBL20901286 0.82 LTA4H (0.38) GNAO1GNAI3GNAI1
SCHEMBL14098302 0.80 LTA4H (0.35) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL24335467 0.79 GNAO1 (0.40) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL26941906 0.79 GNAO1 (0.43) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL22430288 0.79 GNAO1 (0.43) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL26014660 0.78 NPC1 (0.35) GNAO1GNAI3GNAI1
SCHEMBL20803752 0.77
SCHEMBL19506630 0.77 CNR1 (0.41) SIGMAR1
SCHEMBL19261397 0.77 CNR1 (0.41) SIGMAR1

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-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A S1PR1 3875/4885S1PR3 4151/4885S1PR5 3710/4885

“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.