SCHEMBL21100747

SCHEMBL21100747

CCCCCCC(C)C1=CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
OPRM1 P35372 1/20 0.31
HTR6 P50406 1/20 0.30
RGS12 O14924 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRR2 P28476 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
GNAI1 P63096 1/20 0.30
PMP22 Q01453 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL22050093 0.83 HTR6 (0.32) HTR6
SCHEMBL7875449 0.79 TSHR (0.35) HTR6RGS12CYP3A4TSHRGABRR1
SCHEMBL13531056 0.79 TSHR (0.35) HTR6RGS12CYP3A4TSHRGABRR1
SCHEMBL20803989 0.78 SIGMAR1 (0.35) HTR6RGS12CYP3A4TSHRGABRR1
SCHEMBL14155139 0.77 SIGMAR1 (0.30)
SCHEMBL8973166 0.75 OPRM1 (0.39) GPR84OPRM1TSHRSPHK1
SCHEMBL8973592 0.75 OPRM1 (0.39) GPR84OPRM1TSHRSPHK1
SCHEMBL8973370 0.75 OPRM1 (0.39) GPR84OPRM1TSHRSPHK1
SCHEMBL8458912 0.67
SCHEMBL20215763 0.67 TSHR (0.37) HTR6RGS12CYP3A4TSHRGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 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 (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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT GPR84 1577/4885OPRM1 4146/4885HTR6 4228/4885

“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.