SCHEMBL3968340

SCHEMBL3968340

N#CCN1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
PKM P14618 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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 SCHEMBL3430097 0.98 GNAI3 (0.42) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL1611990 0.86
SCHEMBL14738085 0.86
SCHEMBL1611995 0.86
SCHEMBL2332619 0.83 MAOB (0.33) ALDH1A1MAPTMAOBMAOAPKM
SCHEMBL5553266 0.78 MAOB (0.44) GNAI3GNAO1GNAI1MAOBMAOA
SCHEMBL14609540 0.77 NCF1 (0.46) ALDH1A1MAPTMAOBMAOAPKM
SCHEMBL1997756 0.77 ALDH1A1 (0.62) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL665735 0.76 ALDH1A1 (0.33) ALDH1A1MAPTPKMJAK2JAK1
SCHEMBL22691891 0.76 MAOB (0.36) ALDH1A1MAPTMAOBMAOAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
WO-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 WO disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (5 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 GNAI3 705/4885GNAO1 1765/4885GNAI1 474/4885
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 GNAI3 1561/4885GNAO1 2303/4885GNAI1 1227/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 GNAI3 1353/4885GNAO1 2313/4885GNAI1 1151/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 GNAI3 705/4885GNAO1 1765/4885GNAI1 474/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 GNAI3 1663/4885GNAO1 2501/4885GNAI1 1316/4885

“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.