SCHEMBL883791

SCHEMBL883791

CC(C)N1CCN(N)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL26627886 0.89 CHRNA7 (0.35) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL20684606 0.89 SIGMAR1 (0.34) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL1106901 0.83
SCHEMBL13290568 0.83 CHRNA7 (0.46) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL681912 0.83 CHRNA7 (0.46) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL6660188 0.83 CHRNA7 (0.46) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL13290580 0.83 CHRNA7 (0.46) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL13290572 0.83 CHRNA7 (0.46) CHRNA7CYP2D6KDM4EALDH1A1MAPT
SCHEMBL13117824 0.82
Pyridine SCHEMBL28229191 0.80 CYP2D6 (0.39) CYP2D6KDM4EALDH1A1MAPTPKM

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 41 patents — showing the first 20. 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
JP-2005514365-A 2005-05-19 JP claimed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US 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-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
WO-2022058745-A9 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-05-27 WO disclosed
WO-2022090481-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-05 WO disclosed
WO-2022058745-A2 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-03-24 WO disclosed
WO-2009010555-A1 NEW DRUGS WITH ANTICHOLESTATIC ACTIVITY SEGIX ITALIA S.R.L. (IT) 2009-01-22 WO 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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR CHRNA7 2696/4885CYP2D6 9/4885KDM4E 3587/4885
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN3, EGLN2, EGLN1 CHRNA7 4870/4885CYP2D6 3773/4885KDM4E 127/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CHRNA7 2384/4885CYP2D6 257/4885KDM4E 1206/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CHRNA7 1672/4885CYP2D6 477/4885KDM4E 1584/4885

“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.