SCHEMBL20711875

SCHEMBL20711875

Cc1cc(O)c(F)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
GABRA1 P14867 5/20 0.42
GABRB2 P47870 3/20 0.42
TRPA1 O75762 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PKM P14618 3/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
MAPK1 P28482 2/20 0.37
GABRB1 P18505 3/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL18179316 0.91 LMNA (0.44) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL14541266 0.83 LMNA (0.59) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL30427345 0.83 LMNA (0.59) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL5377474 0.82 GABRA1 (0.45) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL15012642 0.81 LMNA (0.56) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL9945874 0.81 LMNA (0.35) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL23430759 0.79 EIF4A3 (0.37) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL30411784 0.79 LMNA (0.65) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL1245089 0.79 LMNA (0.65) LMNAGABRA1GABRB2TRPA1CHRM1
SCHEMBL12648684 0.79 GABRA1 (0.34) LMNAGABRA1GABRB2TRPA1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-04-21 US disclosed
US-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 US disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (5 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 LMNA 4634/4885GABRA1 1987/4885GABRB2 3026/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 LMNA 4634/4885GABRA1 1987/4885GABRB2 3026/4885
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 LMNA 4634/4885GABRA1 1987/4885GABRB2 3026/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 LMNA 4634/4885GABRA1 1987/4885GABRB2 3026/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 LMNA 3454/4885GABRA1 195/4885GABRB2 179/4885

“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.