SCHEMBL13715960

SCHEMBL13715960

CC(C)Oc1cc(C(C)C)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.43
▸ RORC P51449 1/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMO O15229 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ HDAC4 P56524 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
SCHEMBL14827558 0.85 GRIN2B (0.45) —
SCHEMBL19122095 0.85 RXRA (0.38) LMNANOS2GAATRPA1PTGS1
SCHEMBL10168911 0.84 CSNK2A1 (0.56) CSNK2A1RORCS1PR1S1PR3LMNA
SCHEMBL1104690 0.82 ALDH1A1 (0.47) GAAAKR1C3AKR1C2ALDH1A1ALOX12
SCHEMBL26879496 0.81 ALDH1A1 (0.43) CSNK2A1RORCLMNAGAATRPA1
SCHEMBL19121480 0.80 AKR1C3 (0.37) LMNANOS2GAAAKR1C3AKR1C2
SCHEMBL11223797 0.79 NOS2 (0.49) CSNK2A1RORCLMNANOS2GAA
SCHEMBL20350399 0.79 CSNK2A1 (0.35) CSNK2A1NOS2HTTSLC6A2SLC6A4
SCHEMBL532778 0.78 LMNA (0.36) LMNAGAATRPA1PTGS1CACNA1C
SCHEMBL19120979 0.78 ACHE (0.36) LMNAGAATRPA1PTGS1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 — — US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 — — US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 — — US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 — — US disclosed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 — — US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 — — US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 — — US disclosed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 — — US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 — — US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 — — US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 — — US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 — — US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 — — US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 — — US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 — — US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 — — 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 (10 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-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G CSNK2A1 1694/4885RORC 3277/4885S1PR1 703/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G CSNK2A1 1694/4885RORC 3277/4885S1PR1 703/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CSNK2A1 2068/4885RORC 3517/4885S1PR1 554/4885

“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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