SCHEMBL14555351

SCHEMBL14555351

CC(C)c1c[nH]c2ccc(C(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.46
▸ HTR1B P28222 3/20 0.44
▸ HTR2A P28223 4/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ THRA P10827 5/20 0.40
▸ THRB P10828 5/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ GUSB P08236 1/20 0.38
▸ SRC P12931 2/20 0.37

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
SCHEMBL15912345 0.89 HTR1D (0.57) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL4503796 0.80 HTR2A (0.55) HTR2AHTR2CGPR84
SCHEMBL14555321 0.80 ATM (0.47) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL12244348 0.78 TP53 (0.50) HTR1DHTR2AHTR2CHTR2BFFAR1
SCHEMBL22643949 0.77 HTR1D (0.49) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL23612239 0.76 HTR1D (0.44) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL15724409 0.76 HTR2A (0.45) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL12244358 0.76 HTR2A (0.55) HTR2AGPR84GUSB
SCHEMBL3156224 0.76 SRC (0.54) HTR2AHTR2CHTR2BGPR84GUSB
SCHEMBL6516528 0.76 HTR2C (0.55) HTR1DHTR1BHTR2AHTR2CHTR2B

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HTR1D 4753/4885HTR1B 4456/4885HTR2A 4866/4885
US-20230012449-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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