SCHEMBL17066884

SCHEMBL17066884

CCc1c[nH]c2ccc(C(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 7/20 0.55
▸ HTR1B P28222 6/20 0.52
▸ HTR2A P28223 5/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR1A P08908 3/20 0.45
▸ GPR84 Q9NQS5 1/20 0.45
▸ MPO P05164 3/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL25903380 0.88 HTR1D (0.69) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL9210389 0.83 HTR1D (0.51) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL18854105 0.83 HTR1D (0.51) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL9200459 0.80 HTR1D (0.49) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL14555321 0.77 ATM (0.47) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL8297901 0.77 GPR84 (0.73) HTR2AHTR2CHTR1AGPR84MPO
SCHEMBL28918253 0.76 HTR1D (0.42) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL14555351 0.76 HTR1D (0.46) HTR1DHTR1BHTR2AHTR2CGPR84
SCHEMBL22643951 0.75 HTR1D (0.75) HTR1DHTR1BHTR2AHTR1AMPO
SCHEMBL12013054 0.75 HTR1D (0.73) HTR1DHTR1BHTR1A

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 3 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
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP 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 HTR1D 4753/4885HTR1B 4456/4885HTR2A 4866/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN HTR1D 4753/4885HTR1B 4456/4885HTR2A 4866/4885

“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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