SCHEMBL17616420

SCHEMBL17616420

CC(=O)N1CCO[C@](C)(C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
PIK3CD O00329 1/20 0.35
CYP1A2 P05177 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL18827933 0.79 USP2 (0.51) SMN1; SMN2TSHRALDH1A1MAPK1KDM4E
SCHEMBL17572002 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2GAATDP1ALDH1A1
SCHEMBL17616475 0.71 SMN1; SMN2 (0.38) SMN1; SMN2PIK3CD
SCHEMBL22167668 0.71 CYP2C9 (0.48) CYP1A2CYP3A4CYP2D6TSHRALDH1A1
SCHEMBL22167684 0.71 OPRM1 (0.39) SMN1; SMN2TSHRALDH1A1MAPK1KMT2A
SCHEMBL4223658 0.71 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2GAATDP1CYP3A4
SCHEMBL18478531 0.71 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2TDP1ALDH1A1MAPK1
SCHEMBL17616417 0.71
SCHEMBL19788781 0.70 SMN1; SMN2 (0.44) SMN1; SMN2PIK3CDCYP1A2GAATDP1
SCHEMBL24317731 0.69 SMN1; SMN2 (0.39) SMN1; SMN2PIK3CDCYP1A2TDP1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 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-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD SMN1; SMN2 532/4885PIK3CD 1566/4885CYP1A2 749/4885

“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.