SCHEMBL15723741

SCHEMBL15723741

CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CCC2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.31
▸ GRIA2 P42262 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAP3K12 Q12852 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
SCHEMBL15723728 0.91 HTR2A (0.30) —
SCHEMBL15723763 0.87 LMNA (0.31) LMNAGRIA2TSHRNPSR1GAA
SCHEMBL14555352 0.87 LMNA (0.31) LMNAGRIA2TSHRNPSR1GAA
SCHEMBL18852455 0.84 LMNA (0.33) LMNAGRIA2TSHRNPSR1GAA
SCHEMBL18854109 0.82 HTR2A (0.32) —
SCHEMBL15723780 0.78 — —
SCHEMBL15723757 0.75 OPRM1 (0.32) —
SCHEMBL15724392 0.73 LMNA (0.45) LMNAGRIA2TSHRNPSR1GAA
SCHEMBL14375489 0.73 LMNA (0.49) LMNAGRIA2TSHRNPSR1GAA
SCHEMBL15723783 0.72 LMNA (0.31) LMNAGRIA2TSHRNPSR1GAA

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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885GRIA2 3899/4885TSHR 4824/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885GRIA2 3899/4885TSHR 4824/4885

“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.

Send feedback