SCHEMBL7832181

SCHEMBL7832181

Cc1cc(-c2ccc(Br)c(C)c2)on1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 6/20 0.46
S1PR1 P21453 1/20 0.42
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30624472 1.00 MAPT (0.47) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL8262139 0.86 MEN1 (0.49) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1672 0.79 PTPN1 (0.56) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL8418311 0.79 CYP1A2 (0.46) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL31607766 0.75 MEN1 (0.52) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL27141380 0.75 MEN1 (0.52) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL3925823 0.75 NOTUM (0.47) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL3342160 0.75 KDM4E (0.49) MAPTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6498095 0.75 ACHE (0.56) MAPTTP53S1PR1LMNA
SCHEMBL2270503 0.75 NPC1 (0.59) MAPTCYP1A2CYP19A1CYP2C9CYP2C19

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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
EP-0799226-B1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 US disclosed
EP-0799226-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO 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 (1 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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 MAPT 4228/4885CYP1A2 1062/4885CYP19A1 4334/4885

“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.