SCHEMBL19089954

SCHEMBL19089954

CCOC(=O)/C=C/N1CCC(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
LIPE Q05469 1/20 0.36
GAA P10253 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
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
SCHEMBL406367 0.84 HCAR2 (0.50) HCAR2ALDH1A1LMNAMAPTNPC1
SCHEMBL406368 0.84 HCAR2 (0.50) HCAR2ALDH1A1LMNAMAPTNPC1
SCHEMBL1144885 0.82 HCAR2 (0.48) HCAR2ALDH1A1LMNATDP1KMT2A
SCHEMBL1144886 0.82 HCAR2 (0.48) HCAR2ALDH1A1LMNATDP1KMT2A
SCHEMBL28528208 0.81 HCAR2 (0.41) HCAR2ALDH1A1LMNAKMT2AMAPT
SCHEMBL8472227 0.79 HCAR2 (0.46) HCAR2ALDH1A1LMNAKMT2AMAPT
SCHEMBL8472232 0.79 HCAR2 (0.46) HCAR2ALDH1A1LMNAKMT2AMAPT
SCHEMBL23883080 0.78 ALDH1A1 (0.55) HCAR2ALDH1A1LMNAKMT2AMAPT
SCHEMBL3310731 0.78 ALDH1A1 (0.55) HCAR2ALDH1A1LMNAKMT2AMAPT
SCHEMBL5789254 0.72 HCAR2 (0.46) HCAR2ALDH1A1LMNATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 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 (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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS HCAR2 4133/4885ALDH1A1 1076/4885LMNA 1897/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS HCAR2 4133/4885ALDH1A1 1076/4885LMNA 1897/4885

“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.