SCHEMBL8040

SCHEMBL8040

c1cnc(N2CCNCC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.56
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SORD Q00796 1/20 0.47
ADRB1 P08588 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KARS1 Q15046 2/20 0.47
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47

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
SCHEMBL1477436 1.00 PLD1 (0.56) PLD1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL29403876 1.00 PLD1 (0.56) PLD1KDM4EALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL25306600 0.98 PLD1 (0.55) PLD1KDM4EALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL2956941 0.98 PLD1 (0.55) PLD1KDM4EALDH1A1MEN1CYP1A2
Piperidine SCHEMBL1270139 0.93 PLD1 (0.50) PLD1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL30306065 0.93 CHRNB2 (0.55) PLD1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL25378983 0.93 CHRNB2 (0.55) PLD1KDM4EALDH1A1MEN1CYP1A2
Formic Acid SCHEMBL6282993 0.90 PLD1 (0.47) PLD1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL27923541 0.89 PLD1 (0.44) PLD1KDM4EALDH1A1MEN1CYP1A2
Acetic Acid SCHEMBL27600556 0.88 KDM4E (0.52) PLD1KDM4EALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121397-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS ALLERGAN INC (US) 2021-04-29 US claimed
US-10881608-B2 Biodegradable intravitreal tyrosine kinase implants ALLERGAN, INC. (US) 2021-01-05 US claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
CN-105153160-A NO-donating piperazine type matrine derivatives as well as preparation method and application thereof XIANGSHUI CHENGZHI INTELLECTUAL PROPERTY INFORMATION SERVICE CO LTD 2015-12-16 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
EP-1742610-B1 INTRAVITREAL IMPLANTS COMPRISING MICROSPHERES WHICH ENCAPSULATE A TYROSINE KINASE INHIBITOR AND A BIODEGRADABLE POLYMER ALLERGAN INC (US) 2013-06-12 EP claimed
EP-1902024-B1 KINASE INHIBITORS ALLERGAN INC (US) 2013-04-17 EP claimed
EP-1301476-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2003-04-16 EP claimed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO claimed
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-06-06 US claimed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO claimed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP claimed
WO-2002008178-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2002-01-31 WO claimed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO claimed
EP-1011661-A1 MEDIATION OF CIRCADIAN RHYTHMS LUMINIS PTY. LIMITED (AU) 2000-06-28 EP claimed
WO-1998042331-A1 MEDIATION OF CIRCADIAN RHYTHMS LUMINIS PTY. LIMITED (AU) 1998-10-01 WO claimed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP claimed

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-20210121397-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS KDR, PTK2B, DSTYK PLD1 2466/4885KDM4E 860/4885ALDH1A1 1500/4885
US-10881608-B2 Biodegradable intravitreal tyrosine kinase implants KDR, PTK2B, DSTYK PLD1 2466/4885KDM4E 860/4885ALDH1A1 1500/4885
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination HTR6, HTR5A, HTR2C PLD1 3297/4885KDM4E 3885/4885ALDH1A1 1862/4885

“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.