SCHEMBL7719587

SCHEMBL7719587

N#CCCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.46
NAAA Q02083 1/20 0.46
HRH3 Q9Y5N1 3/20 0.43
HRH4 Q9H3N8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL7418781 0.92 HRH1 (0.57) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL254617 0.86 MEN1 (0.52) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL9671911 0.84 MEN1 (0.46) L3MBTL1ATMKMT2AMEN1TDP1
SCHEMBL7275942 0.78 HRH1 (0.50) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL726645 0.78 HRH1 (0.73) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL351920 0.78 HRH1 (0.65) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL9553570 0.77 TSHR (0.48) HRH3L3MBTL1ATMKMT2AMEN1
SCHEMBL267286 0.77 MEN1 (0.41) L3MBTL1ATMKMT2AMEN1TDP1
SCHEMBL181369 0.77 MEN1 (0.52) L3MBTL1ATMKMT2AMEN1
SCHEMBL9552742 0.77 TSHR (0.48) HRH3L3MBTL1ATMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN claimed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN claimed
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN disclosed
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN disclosed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN disclosed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN disclosed
CN-1147469-C Novel urea derivatives bearing nitrogenous aromatic heterocycles ������ҩ��ʽ���� 2004-04-28 CN disclosed
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
CN-1318051-A Novel urea derivative having aromatic nitrogen-containing heterocycle SANTEN PHARMACEUTICAL CO LTD (JP) 2001-10-17 CN disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
US-5441950-A Analgesics, prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1995-08-15 US disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
EP-0068386-B1 SUBSTITUTED IMIDAZO(1,5-A)PYRIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS CIBA-GEIGY AG (CH) 1985-12-18 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
US-4470986-A ISCHEMIA, SHOCK, THROMBOSIS CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
EP-0114572-A1 Substituted imidazo(1,5-a)pyridines CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed
US-4444775-A ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 EP disclosed
EP-0068386-A1 Substituted imidazo(1,5-a)pyridines, process for their preparation and pharmaceutical preparations containing these compounds CIBA-GEIGY AG (CH) 1983-01-05 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 (1 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 HRH1 4/4885LOXL2 4321/4885NAAA 1086/4885

“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.