SCHEMBL3963182

SCHEMBL3963182

c1cc(NC2CCN(c3ccncc3)CC2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
CHKA P35790 1/20 0.52
KDM1A O60341 1/20 0.51
MAOB P27338 1/20 0.51
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
EHMT2 Q96KQ7 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ROCK1 Q13464 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
LSS P48449 1/20 0.39

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
SCHEMBL784698 0.81 KDM1A (0.61) DRD2DRD3CHKAKDM1AMAOB
SCHEMBL4716612 0.81 KDM1A (0.42) DRD2DRD3CHKAKDM1AMAOB
SCHEMBL10372739 0.80 CTSD (0.48) DRD2DRD3POLBROCK1
SCHEMBL8613428 0.80 ROCK1 (0.40) DRD2DRD3CHKAKDM1AMAOB
SCHEMBL784745 0.80 CHKA (0.53) CHKAKDM1AMAOBADRB2NCF1
SCHEMBL14980372 0.80 POLB (0.64) DRD2DRD3POLBROCK1HRH4
Hydrochloric Acid SCHEMBL785240 0.79 CHKA (0.52) CHKAKDM1AMAOBADRB2NCF1
SCHEMBL784752 0.77 CHKA (0.55) CHKAKDM1AMAOBADRB2NCF1
SCHEMBL4712014 0.77 CHKA (0.59) DRD2DRD3CHKAKDM1AMAOB
SCHEMBL11169098 0.77 EPHX1 (0.49) POLBROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP 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
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 (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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 DRD2 509/4885DRD3 748/4885CHKA 1520/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 DRD2 694/4885DRD3 725/4885CHKA 1693/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 DRD2 613/4885DRD3 891/4885CHKA 1641/4885

“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.