SCHEMBL14616743

SCHEMBL14616743

Cc1cc2cc[nH]c2cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.44
▸ CYP2A6 P11509 3/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AHR P35869 6/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAD51 Q06609 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CFTR P13569 1/20 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
SCHEMBL13285075 0.92 GPR84 (0.44) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957480 0.86 GPR84 (0.48) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL3334627 0.83 GPR84 (0.47) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957459 0.79 CSNK2A1 (0.50) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957446 0.79 GPR84 (0.62) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL30741638 0.79 CFTR (0.47) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL827047 0.79 GPR84 (0.54) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957501 0.78 GPR84 (0.46) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957473 0.77 GPR84 (0.40) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL22792660 0.77 GPR84 (0.40) GPR84CYP2A6CSNK2A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 — — US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 — — US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 — — US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 — — US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 — — US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — 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 (6 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GPR84 200/4885CYP2A6 1010/4885CSNK2A1 1260/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 GPR84 2711/4885CYP2A6 3159/4885CSNK2A1 306/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS GPR84 179/4885CYP2A6 4783/4885CSNK2A1 3203/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ GPR84 2372/4885CYP2A6 3126/4885CSNK2A1 325/4885
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 GPR84 351/4885CYP2A6 3243/4885CSNK2A1 4148/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 GPR84 351/4885CYP2A6 3243/4885CSNK2A1 4148/4885

“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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