Sugi Predict

Sugi Predict / Compounds / SCHEMBL703571

SCHEMBL703571

SCHEMBL703571

CN1[C@@H]2CCC[C@H]1C[C@@H](N)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CHRM4 P08173 5/20 0.37
▸ CHRM2 P08172 4/20 0.37
▸ CHRM1 P11229 4/20 0.37
▸ CHRM3 P20309 4/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 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
SCHEMBL4924453 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL2087274 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL29992606 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL703572 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL703781 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL1005613 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL1005612 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL1005652 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL703780 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL334182 0.89 CYP2C9 (0.55) MAPK1LMNACYP2C9CHRM4CHRM2

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484321-B1 Process for preparing 1-methylindazole-3-carboxylic acid CHEMAGIS LTD (IL) 2011-04-06 — — EP claimed
US-7060841-B2 Process for preparing 1-methylindazole-3-carboxylic acid CHEMAGIS LTD. (IL) 2006-06-13 — — US claimed
US-20040248960-A1 Process for preparing 1-methylindazole-3-carboxylic acid CHEMAGIS LTD. (IL) 2004-12-09 — — US claimed
EP-1484321-A1 Process for preparing 1-methylindazole-3-carboxylic acid Chemagis Ltd. (IL) 2004-12-08 — — EP claimed
EP-0419397-B1 Substituted urea compounds and their preparation and use NOVO NORDISK AS (DK) 1994-06-08 — — EP claimed
EP-0220339-B1 AZABICYCLOALKYL DERIVATIVES BEECHAM GROUP PLC (GB) 1989-11-08 — — EP claimed
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 — — US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 — — US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 — — US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 — — US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 — — US disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — US disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 — — EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 — — WO disclosed
WO-1991001316-A1 NEW 9-AZABICYCLO[3.3.1]NONANE-DERIVATE BEECHAM GROUP PLC (GB) 1991-02-07 — — WO disclosed
US-4937247-A EMETIC AGENTS, ANALGESICS BEECHAM GROUP P.L.C. (GB) 1990-06-26 — — US disclosed
EP-0220339-B1 AZABICYCLOALKYL DERIVATIVES BEECHAM GROUP PLC (GB) 1989-11-08 — — EP disclosed
US-4871744-A TREATMENT OF ANXIETY, PSYCHOSIS, MIGRAINS BEECHAM GROUP P.L.C. (GB) 1989-10-03 — — US disclosed
EP-0247266-A1 Indole derivatives having an azabicyclic side chain, process for their preparation, intermediates, and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1987-12-02 — — 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 (4 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAPK1 3092/4885LMNA 4803/4885CYP2C9 472/4885
US-20040248960-A1 Process for preparing 1-methylindazole-3-carboxylic acid CYP3A43, CMA1, CYP3A7 MAPK1 1554/4885LMNA 4118/4885CYP2C9 20/4885
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 MAPK1 2332/4885LMNA 2361/4885CYP2C9 1311/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAPK1 3092/4885LMNA 4803/4885CYP2C9 472/4885

“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.