SCHEMBL17619795

SCHEMBL17619795

C[N+](C)(C)C(Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
SLC7A5 Q01650 1/20 0.59
CPB2 Q96IY4 1/20 0.55
ALDH1A1 P00352 4/20 0.50
NFKB1 P19838 2/20 0.50
GABRA1 P14867 1/20 0.50
TSHR P16473 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRR2 P28476 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
HRH4 Q9H3N8 3/20 0.49
HRH3 Q9Y5N1 3/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL17308657 1.00 CYP3A4 (0.59) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL26315497 0.86 SLC22A4 (0.55) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL1331027 0.86 SLC22A4 (0.55) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL26315500 0.83 CYP3A4 (0.48) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL791747 0.78 CYP3A4 (0.65) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL14411160 0.78 CYP3A4 (0.65) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL27972810 0.77 ITGB2 (0.56) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL1624184 0.76 CYP3A4 (0.67) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL29385058 0.76 CYP3A4 (0.67) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL1131474 0.76 CYP3A4 (0.67) CYP3A4SLC7A5CPB2ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026097644-A1 ACTIVE PREVENTION AND CONTROL METHOD FOR INOCULATION PROCESS OF FRACTURE-TYPE ROCK BURST IN DEEP-BURIED TUNNEL 东北大学 2026-05-15 WO disclosed
US-11767756-B2 Method and system for the determination of hydrocarbon accumulations ABU DHABI NATIONAL OIL COMPANY (AE) 2023-09-26 US disclosed
WO-2022220263-A1 ERGOTHIONEINE PRODUCTION METHOD 大学共同利用機関法人情報・システム研究機構 2022-10-20 WO disclosed
WO-2022185873-A1 ERGOTHIONEINE PRODUCTION METHOD 長瀬産業株式会社 2022-09-09 WO disclosed
WO-2022185872-A1 ERGOTHIONEINE PRODUCTION METHOD 長瀬産業株式会社 2022-09-09 WO disclosed
CN-114779363-A Method and system for determining hydrocarbon deposits 阿布扎比国家石油公司 2022-07-22 CN disclosed
US-20220195870-A1 METHOD AND SYSTEM FOR THE DETERMINATION OF HYDROCARBON ACCUMULATIONS ABU DHABI NATIONAL OIL COMPANY (AE) 2022-06-23 US disclosed
EP-4016136-A1 METHOD AND SYSTEM FOR THE DETERMINATION OF HYDROCARBON ACCUMULATIONS Abu Dhabi National Oil Company (AE) 2022-06-22 EP disclosed
US-11353621-B2 Method and alarming system for CO2 sequestration KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-06-07 US disclosed
US-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2017-10-05 US disclosed
US-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2017-10-05 US disclosed
WO-2016042273-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2016-03-24 WO 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-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE MLX, MLEC, PTMS CYP3A4 3127/4885SLC7A5 284/4885CPB2 1696/4885

“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.