SCHEMBL893565

SCHEMBL893565

c1ccc(N2CCNCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 1.00
ALDH1A1 P00352 7/20 0.70
HSD17B10 Q99714 4/20 0.70
USP2 O75604 3/20 0.70
CYP3A4 P08684 3/20 0.70
HPGD P15428 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
TSHR P16473 2/20 0.70
CYP2C19 P33261 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPK1 P28482 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
CYP1A2 P05177 3/20 0.62
KDM4E B2RXH2 3/20 0.57
BPTF Q12830 1/20 0.56
HTR7 P34969 2/20 0.56
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53

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
SCHEMBL7900 1.00 PLD1 (1.00) PLD1ALDH1A1HSD17B10USP2CYP3A4
SCHEMBL29400889 1.00 PLD1 (1.00) PLD1ALDH1A1HSD17B10USP2CYP3A4
Hydrochloric Acid SCHEMBL27481639 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Piperazine SCHEMBL27920772 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Bromide SCHEMBL11807389 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Hydrochloric Acid SCHEMBL6349557 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Ammonia Solution, Strong SCHEMBL17926100 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Hydrochloric Acid SCHEMBL4165242 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Ammonia Solution, Strong SCHEMBL8745498 0.98 PLD1 (0.96) PLD1ALDH1A1HSD17B10USP2CYP3A4
Hydrazine SCHEMBL9427114 0.96 PLD1 (0.93) PLD1ALDH1A1HSD17B10USP2CYP3A4

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 63 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
EP-0891976-B1 Novel cyclic ureas useful as antiarrhythmic and antifibrillatory agents PROCTER & GAMBLE PHARMA (US) 2002-10-16 EP claimed
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
EP-0598046-B1 CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMA (US) 1999-03-24 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
US-5763438-A ANTIVIRAL AGENTS SEIKAGAKU CORPORATION (JP) 1998-06-09 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-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
EP-0765865-A1 2-ACYLAMINOPROPANOL COMPOUND AND MEDICINAL COMPOSITION SEIKAGAKU CORPORATION (JP) 1997-04-02 EP 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
WO-1993004061-A1 NOVEL 4-OXOCYCLIC 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
WO-1993004060-A1 NOVEL CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (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 (2 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-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.