SCHEMBL3202432

SCHEMBL3202432

CCS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 4/20 0.49
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
GRK2 P25098 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
THRB P10828 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 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
SCHEMBL4012060 0.86 CYP3A4 (0.55) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3116490 0.81 TSHR (0.44) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27787078 0.77 MAPT (0.45) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1164361 0.77 HTT (0.50) MAPTHTTTSHRRECQLLMNA
SCHEMBL10258369 0.76 KDM4E (0.50) MAPTHTTTSHRKMT2ALMNA
SCHEMBL3158236 0.76 SMN1; SMN2 (0.58) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6695141 0.76 SMN1; SMN2 (0.53) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10536301 0.76 TSHR (0.47) MAPTHTTTSHRRECQLLMNA
SCHEMBL10536613 0.76 TSHR (0.47) MAPTHTTTSHRRECQLLMNA
SCHEMBL4017731 0.75 CA2 (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP disclosed
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP disclosed
CN-101006082-B Histamine H3 receptor agents, methods of preparation and therapeutic uses LILLY CO ELI 2010-09-29 CN disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
CN-101006082-A Histamine H3 receptor agents, methods of preparation and therapeutic uses LILLY CO ELI (US) 2007-07-25 CN disclosed
EP-1784400-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-16 EP disclosed
WO-2006023462-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-03-02 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 (3 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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 MAPT 756/4885CYP3A4 3045/4885CYP2D6 2262/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 MAPT 2108/4885CYP3A4 4362/4885CYP2D6 3713/4885
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 MAPT 859/4885CYP3A4 2976/4885CYP2D6 2472/4885

“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.