SCHEMBL19903704

SCHEMBL19903704

CC(C)CN1CCCC1CO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
CHRM3 P20309 1/20 0.42
SPHK2 Q9NRA0 7/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.35

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
SCHEMBL13683784 1.00 SPHK1 (0.43) SPHK1L3MBTL1POLBCHRM3SPHK2
SCHEMBL14530162 1.00 SPHK1 (0.43) SPHK1L3MBTL1POLBCHRM3SPHK2
SCHEMBL13981439 0.94 KMT2A (0.43) SPHK1L3MBTL1POLBCHRM3SPHK2
SCHEMBL27282864 0.94 KMT2A (0.43) SPHK1L3MBTL1POLBCHRM3SPHK2
SCHEMBL27284632 0.94 KMT2A (0.43) SPHK1L3MBTL1POLBCHRM3SPHK2
SCHEMBL16941140 0.88 GBA1 (0.39) SPHK1L3MBTL1POLBCHRM3KMT2A
SCHEMBL21870608 0.82 CHRM3 (0.38) L3MBTL1CHRM3KDM4EHTT
SCHEMBL7024922 0.82 CHRM3 (0.38) L3MBTL1CHRM3KDM4EHTT
SCHEMBL10808055 0.82 CHRM3 (0.38) L3MBTL1CHRM3KDM4EHTT
SCHEMBL13839006 0.82 TSHR (0.40) L3MBTL1CHRM3KMT2AKDM4EALDH1A1

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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
EP-2804861-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS GENOSCO (US) 2018-02-28 EP 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 SPHK1 2180/4885L3MBTL1 1974/4885POLB 344/4885

“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.