SCHEMBL5781489

SCHEMBL5781489

COc1nc(C)ccc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CD274 Q9NZQ7 10/20 0.38
PDCD1LG2 Q9BQ51 9/20 0.38
ALDH1A1 P00352 3/20 0.37
GFER P55789 1/20 0.37
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL16093359 0.82 APOBEC3A (0.53) APOBEC3AAPOBEC3GCD274PDCD1LG2ALDH1A1
SCHEMBL2031694 0.80 KDM4E (0.47) APOBEC3AAPOBEC3GCD274PDCD1LG2ALDH1A1
SCHEMBL2029639 0.80 APOBEC3A (0.44) APOBEC3AAPOBEC3GCD274PDCD1LG2ALDH1A1
SCHEMBL5010358 0.80 CD274 (0.51) APOBEC3AAPOBEC3GCD274PDCD1LG2ALDH1A1
SCHEMBL16419630 0.80 PDCD1LG2 (0.44) CD274PDCD1LG2ALDH1A1GFER
SCHEMBL29370691 0.80 PDCD1LG2 (0.44) CD274PDCD1LG2ALDH1A1GFER
SCHEMBL29555612 0.80 KDM4E (0.47) APOBEC3AAPOBEC3GCD274PDCD1LG2ALDH1A1
SCHEMBL1848182 0.80 POLB (0.46) CD274PDCD1LG2ALDH1A1GFERRAB9A
SCHEMBL30028985 0.78 PDCD1LG2 (0.36) CD274PDCD1LG2ALDH1A1GFERMAPT
Hydrochloric Acid SCHEMBL28949992 0.78 PDCD1LG2 (0.43) CD274PDCD1LG2ALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 US disclosed
WO-2020236692-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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 (2 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 APOBEC3A 3708/4885APOBEC3G 3373/4885CD274 3915/4885
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 APOBEC3A 1026/4885APOBEC3G 1569/4885CD274 282/4885

“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.