SCHEMBL20079428

SCHEMBL20079428

Cc1cc(C(C)C)cc(C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C1 Q04828 1/20 0.31
PDE2A O00408 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL13801388 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL13547711 0.82 HTR2A (0.34) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL2737355 0.80 LMNA (0.41) HTR2AHTR2CHTR2BLMNATRPA1
SCHEMBL12534593 0.80 HTR2A (0.33) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL15934961 0.79 HTR2A (0.36) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL22155235 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL15934967 0.78 ADRB2 (0.38) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL26712843 0.77 CYP1A2 (0.35) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL12552644 0.76 HTR2A (0.37) HTR2AHTR2CHTR2BAKR1C3AKR1C2
SCHEMBL12144344 0.76 HTR2A (0.36) HTR2AHTR2CHTR2BAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING FACIT INC. (CA) 2023-07-13 US disclosed
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2022-05-03 US disclosed
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2021-11-16 US disclosed
WO-2021221208-A1 DIHYDROPYRANO[3,2-G]CROMEN-2-ONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 (KR) 2021-11-04 WO disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-04-25 US disclosed
US-20190112290-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-04-18 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 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 (7 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-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 HTR2A 3796/4885HTR2C 3554/4885HTR2B 4177/4885
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 HTR2A 3840/4885HTR2C 3659/4885HTR2B 4205/4885
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 HTR2A 4408/4885HTR2C 4499/4885HTR2B 4661/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 HTR2A 73/4885HTR2C 75/4885HTR2B 88/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 HTR2A 73/4885HTR2C 75/4885HTR2B 88/4885
US-20190112290-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 HTR2A 4433/4885HTR2C 4443/4885HTR2B 4647/4885
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 HTR2A 3796/4885HTR2C 3554/4885HTR2B 4177/4885

“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.