SCHEMBL10109054

SCHEMBL10109054

CCN1CCC(C(=O)NCCC(=O)NC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GNAI3 P08754 2/20 0.43
▸ GNAO1 P09471 2/20 0.43
▸ GNAI1 P63096 2/20 0.43
▸ EPHX2 P34913 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL10102873 0.84 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1TSHR
SCHEMBL16257066 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2
SCHEMBL10108953 0.84 SMN1; SMN2 (0.51) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2
SCHEMBL17285633 0.79 GNAI3 (0.55) SMN1; SMN2GNAI3GNAO1GNAI1ALOX15
SCHEMBL20965465 0.75 SMN1; SMN2 (0.47) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2
SCHEMBL19009042 0.75 SMN1; SMN2 (0.63) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2
SCHEMBL24940838 0.74 GNAI3 (0.59) SMN1; SMN2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL12141805 0.74 HSD17B10 (0.50) SMN1; SMN2GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL13622462 0.73 EPHX1 (0.55) SMN1; SMN2EPHX2ALDH1A1LMNAACKR3
SCHEMBL26203010 0.71 HSD17B10 (0.55) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2

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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 — — 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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 SMN1; SMN2 4505/4885GNAI3 2496/4885GNAO1 1567/4885

“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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