SCHEMBL3318901

SCHEMBL3318901

CC(C)CNCCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ANPEP P15144 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
ECE1 P42892 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL3348280 0.89 SCN1A (0.40) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL11230801 0.84 DPP4 (0.37) ANPEPALDH1A1ECE1DPP4DPP8
SCHEMBL11328094 0.84 ALDH1A1 (0.42) ALDH1A1ECE1DPP4DPP8DPP9
SCHEMBL12413734 0.79 CYP2D6 (0.46) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL13589517 0.79 ALDH1A1 (0.41) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL26487740 0.77 ALOX15 (0.32)
SCHEMBL12762408 0.77 CYP2C19 (0.39) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL1806852 0.77 MAOA (0.37) CYP2C19CA12CA7CA9CA14
SCHEMBL29814759 0.77 CA12 (0.33) CA12CA7CA9CA14
SCHEMBL26030784 0.77 LMNA (0.33) ANPEPCA12CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 US disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 WO disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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 (5 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 SCN1A 3186/4885SCN2A 3359/4885SCN3A 3994/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 SCN1A 3186/4885SCN2A 3359/4885SCN3A 3994/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 SCN1A 3186/4885SCN2A 3359/4885SCN3A 3994/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 SCN1A 3186/4885SCN2A 3359/4885SCN3A 3994/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD SCN1A 3581/4885SCN2A 4011/4885SCN3A 3506/4885

“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.