SCHEMBL4751190

SCHEMBL4751190

CC1CCCc2c(C(F)(F)F)n[nH]c21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HRH2 P25021 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL31461381 0.80 CYP11B1 (0.36)
SCHEMBL18325700 0.75 HCAR2 (0.45) HCAR2HRH2HRH3
SCHEMBL11667139 0.70 HCAR2 (0.41) HCAR2HRH2HRH3
SCHEMBL8283481 0.69 HCAR2 (0.82) HCAR2
SCHEMBL26924565 0.68 HCAR2 (0.32) HCAR2
SCHEMBL1006964 0.67 DHODH (0.47) HCAR2
SCHEMBL4753717 0.67 HCAR2 (0.44) HCAR2
SCHEMBL20184283 0.67 P2RX7 (0.33)
SCHEMBL4753322 0.67 CYP1A2 (0.46) HCAR2CYP1A2CYP2C19
SCHEMBL26255987 0.67 CYP1A2 (0.42) CYP1A2CYP2C19

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-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 US disclosed
US-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 US disclosed
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
WO-2008148832-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEROF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 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 (3 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-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 HCAR2 4707/4885CYP1A2 782/4885CYP2C19 391/4885
US-10202353-B2 Therapeutic compounds RPL35, SARS1, HAVCR2 HCAR2 4740/4885CYP1A2 903/4885CYP2C19 575/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HCAR2 3961/4885CYP1A2 489/4885CYP2C19 386/4885

“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.