SCHEMBL1713962

SCHEMBL1713962

NCCCc1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.67
HRH3 Q9Y5N1 3/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AOC3 Q16853 2/20 0.47
CHRNA7 P36544 2/20 0.47
AHR P35869 1/20 0.45
BCHE P06276 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
Hydrochloric Acid SCHEMBL27539522 0.98 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL8376332 0.95 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL9703496 0.93 LOXL2 (0.62) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL9494966 0.93 LOXL2 (0.62) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL653530 0.89 LOXL2 (0.71) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL6860219 0.88 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BAOC3
Hydrochloric Acid SCHEMBL28686778 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
Iodide SCHEMBL28690475 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
Bromide SCHEMBL28679046 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL31059889 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957454-B1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US claimed
EP-1957454-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US claimed
WO-2007062994-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
EP-3436017-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2019-04-25 US disclosed
EP-3436017-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2019-02-06 EP disclosed
WO-2017166104-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
WO-2017172507-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
EP-1068199-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6150533-A ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP. (US) 2000-11-21 US disclosed
CN-1269800-A Tetrahydro Gamma-carbolines JANSSON PHARMACEUTICAL N V (BE) 2000-10-11 CN disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
US-5990094-A SEROTONIN N-ACETYLTRANSFERASE INHIBITORS WHICH CAN SERVE AS BIOLOGICAL TOOLS THAT HELP REVEAL BIOLOGICAL FUNCTIONS FOR MELATONIN AND PINEAL SEROTONIN IN VIVO; ACETYL-COA N-ACETYL TRYPTAMINE DERIVATIVES OF GIVEN STRUCTURE THE ROCKEFELLER UNIVERSITY (US) 1999-11-23 US disclosed
WO-1999051591-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 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-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA LOXL2 3752/4885HRH3 1158/4885MTNR1A 2110/4885
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA LOXL2 3752/4885HRH3 1158/4885MTNR1A 2110/4885
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles TPH1, TPH2, HTR1A LOXL2 4456/4885HRH3 23/4885MTNR1A 25/4885

“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.