SCHEMBL20371663

SCHEMBL20371663

CCC(C)c1c[nH]c2cccc(C)c12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 6/20 0.53
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ NR3C1 P04150 2/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ FFAR1 O14842 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADRB3 P13945 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34

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
SCHEMBL18853889 0.82 GPR84 (0.55) GPR84HTR2AHTR2CHTR2BNR3C1
SCHEMBL20216311 0.82 GPR84 (0.51) GPR84HTR2AHTR2CHTR2BFFAR1
SCHEMBL15141744 0.80 GPR84 (0.46) GPR84HTR2AHTR2CHTR2BNR3C1
SCHEMBL15142092 0.79 PKM (0.44) GPR84NR3C1NR3C2TSHR
SCHEMBL2309556 0.77 GPR84 (0.49) GPR84HTR2AHTR2CHTR2BNR3C1
SCHEMBL29003657 0.76 GPR84 (0.45) GPR84HTR2AHTR2CHTR2BNR3C1
Iodide SCHEMBL1295531 0.75 GPR84 (0.47) GPR84HTR2AHTR2CHTR2BNR3C1
SCHEMBL20458837 0.75 GPR84 (0.44) GPR84HTR2AHTR2CHTR2BNR3C1
SCHEMBL12671700 0.74 HTR2A (0.72) GPR84HTR2AHTR2CHTR2BNR3C1
SCHEMBL12671597 0.74 HTR2A (0.72) GPR84HTR2AHTR2CHTR2BNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GPR84 2464/4885HTR2A 4866/4885HTR2C 4731/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN GPR84 2464/4885HTR2A 4866/4885HTR2C 4731/4885

“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.

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