SCHEMBL3534837

SCHEMBL3534837

[CH]1CNCCN1c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.61
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 3/20 0.47
USP2 O75604 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.45
ALOX5 P09917 1/20 0.45
CRBN Q96SW2 1/20 0.41
HTR7 P34969 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40

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
SCHEMBL1478566 0.79 ALDH1A1 (0.52) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL15659725 0.77 PLD1 (0.38) PLD1
SCHEMBL22159423 0.77 PLD1 (0.39) PLD1ALDH1A1BPTFKDM4E
SCHEMBL739058 0.77 SIGMAR1 (0.52) PLD1ALDH1A1HSD17B10CYP3A4USP2
SCHEMBL7900 0.76 PLD1 (1.00) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL29400889 0.76 PLD1 (1.00) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL3537094 0.76 PLD1 (0.57) PLD1ALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL893565 0.76 PLD1 (1.00) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL1477438 0.75 PLD1 (0.36) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL2494154 0.75 GRIN2D (0.40) PLD1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 US claimed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 US claimed
US-5712270-A TREATING PARKINSON*S DISEASE, DOWN*S SYNDROME, AND ALZHEIMER*S DISEASE WITH COGNITION ACTIVATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-27 US claimed
US-5510478-A TREATMENT OF NEUROLOGICAL ILLNESSES RELATED TO CHOLINERGIC DEFICIENCY; ALZHEIMERS'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-23 US claimed
US-9944666-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2018-04-17 US disclosed
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 US disclosed
US-9550798-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2017-01-24 US disclosed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 US disclosed
EP-2877180-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP disclosed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
US-5510478-A TREATMENT OF NEUROLOGICAL ILLNESSES RELATED TO CHOLINERGIC DEFICIENCY; ALZHEIMERS'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-23 US disclosed
US-5510478-A TREATMENT OF NEUROLOGICAL ILLNESSES RELATED TO CHOLINERGIC DEFICIENCY; ALZHEIMERS'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-23 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0599968-A1 CYCLIC URETHANES USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-06-08 EP disclosed
EP-0598046-A1 NOVEL CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-05-25 EP disclosed
WO-1993004060-A1 NOVEL CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1993-03-04 WO disclosed
WO-1993004064-A1 CYCLIC URETHANES USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-03-04 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-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 PLD1 70/4885ALDH1A1 4080/4885HSD17B10 3792/4885
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 PLD1 1978/4885ALDH1A1 796/4885HSD17B10 884/4885
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 PLD1 75/4885ALDH1A1 4016/4885HSD17B10 4288/4885

“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.