SCHEMBL312409

SCHEMBL312409

c1ccc(-c2c[nH]c(C3CCNCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HPGDS O60760 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 5/20 0.41
GABRB2 P47870 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
ADRB2 P07550 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
ADORA2A P29274 1/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 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
Hydrochloric Acid SCHEMBL1653372 0.98 SLC18A3 (0.49) SLC18A3SIGMAR1HPGDSMEN1KMT2A
Hydrochloric Acid SCHEMBL311386 0.98 SLC18A3 (0.49) SLC18A3SIGMAR1HPGDSMEN1KMT2A
SCHEMBL6166041 0.97 SLC18A3 (0.47) SLC18A3SIGMAR1HPGDSMEN1KMT2A
Hydrochloric Acid SCHEMBL6806273 0.95 SLC18A3 (0.46) SLC18A3SIGMAR1HPGDSMEN1KMT2A
SCHEMBL2315850 0.87 HPGDS (0.61) SLC18A3SIGMAR1HPGDSMEN1KMT2A
SCHEMBL242610 0.85 ADORA1 (0.52) ADORA3ADORA2BADORA1ADORA2A
SCHEMBL27776218 0.84 HTR3A (0.46) SLC18A3SIGMAR1KMT2AGABRA1HTR2C
SCHEMBL311619 0.84 MKNK1 (0.54) HTR2CHTR2A
SCHEMBL4670822 0.84 ADORA3 (0.40) HPGDSMEN1KMT2AKCNH2ADORA3
SCHEMBL27776222 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646492-A Five-membered-aromatic-heterocycte-containing substituted xanthine compound and preparation method and use thereof 中国医学科学院药物研究所 2016-06-08 CN disclosed
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-8609696-B2 Serotonin 5-HT2B receptor inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 US disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20110269742-A1 Serotonin 5-HT2B Receptor Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2379524-A1 SEROTONIN 5-HT2B RECEPTOR INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-10-26 EP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
CN-1093125-C Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-23 CN disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
CN-1250445-A Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 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 (2 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-20110269742-A1 Serotonin 5-HT2B Receptor Inhibitors HTR2B, HTR1B, HTR3B SLC18A3 52/4885SIGMAR1 141/4885HPGDS 586/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 SLC18A3 4126/4885SIGMAR1 1797/4885HPGDS 2334/4885

“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.