SCHEMBL2632854

SCHEMBL2632854

CCc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.49
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 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
SCHEMBL25089766 0.85 P2RX7 (0.46) P2RX7SLC6A2SLC6A4CTSSCTSK
SCHEMBL10540791 0.82 P2RX7 (0.46) P2RX7SLC6A2SLC6A4
SCHEMBL10747351 0.82 P2RX7 (0.46) P2RX7SLC6A2SLC6A4
SCHEMBL24008327 0.82 GABRA1 (0.46) P2RX7GABRA1GABRB2
SCHEMBL1635491 0.82 PNMT (0.54) P2RX7SLC6A2SLC6A4
SCHEMBL27176597 0.80 GABRA1 (0.42) P2RX7GABRA1GABRB2
SCHEMBL29129467 0.80 P2RX7 (0.44) P2RX7SLC6A2SLC6A4
SCHEMBL3283101 0.80 P2RX7 (0.44) P2RX7SLC6A2SLC6A4
SCHEMBL4557992 0.80 P2RX7 (0.44) P2RX7SLC6A2SLC6A4
SCHEMBL488470 0.80 P2RX7 (0.53) P2RX7SLC6A2SLC6A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
WO-2021000933-A1 PYRIMIDINONE COMPOUNDS AS CHYMASE INHIBITORS AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-01-07 WO disclosed
EP-3091970-B1 LXR AGONISTS AND USES THEREOF RGENIX INC (US) 2020-10-28 EP disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 US disclosed
US-20170216283-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2017-08-03 US disclosed
US-20170216283-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2017-08-03 US disclosed
US-9657001-B2 Compounds and uses ASTRAZENECA AB (SE) 2017-05-23 US disclosed
US-9657001-B2 Compounds and uses ASTRAZENECA AB (SE) 2017-05-23 US disclosed
US-20160326143-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2016-11-10 US disclosed
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP disclosed
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 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-20170216283-A1 COMPOUNDS AND USES LTC4S, LTB4R2, LTA4H P2RX7 2324/4885GABRA1 3365/4885GABRB2 4109/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 P2RX7 741/4885GABRA1 1141/4885GABRB2 2290/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 P2RX7 790/4885GABRA1 933/4885GABRB2 1739/4885
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 P2RX7 281/4885GABRA1 159/4885GABRB2 313/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 P2RX7 3611/4885GABRA1 2064/4885GABRB2 3462/4885
US-20160326143-A1 COMPOUNDS AND USES LTC4S, LTB4R2, LTA4H P2RX7 2324/4885GABRA1 3365/4885GABRB2 4109/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 P2RX7 3611/4885GABRA1 2064/4885GABRB2 3462/4885

“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.