SCHEMBL6618922

SCHEMBL6618922

CC(=O)N(C(C)C)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
KMT2A Q03164 1/20 0.35
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHKA P35790 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
OPRD1 P41143 1/20 0.31
CYP1A2 P05177 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL1489507 0.76 CHRM2 (0.30) CHRM5CHRM3
SCHEMBL28199271 0.74 CA2 (0.38) CHRM5CHRM3KMT2ACA2CA12
SCHEMBL4575031 0.72 DPP4 (0.33)
SCHEMBL18878939 0.71 CA2 (0.35) CHRM5CHRM3KMT2ACA2CA12
SCHEMBL1820006 0.69 CHRM5 (0.31) CHRM5CHRM3
SCHEMBL1961976 0.68 CA2 (0.33) CHRM5CHRM3KMT2ACA2CA12
SCHEMBL1961974 0.68 CA2 (0.33) CHRM5CHRM3CA2CA12CA1
SCHEMBL28078006 0.67 CA2 (0.45) CHRM5CHRM3CA2CA12CA1
SCHEMBL27619075 0.67 CHRNB2 (0.47) CHRM5CHRM3CA2CA12CA1
SCHEMBL28152505 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1546470-A 6-phenylpyridyl-2-amine derivatives ������ҩ�����޹�˾ 2004-11-17 CN disclosed
CN-1168719-C 6-phenylpyridin-2-ylamine derivatives, pharmaceutical compositions and uses ������ҩ�����޹�˾ 2004-09-29 CN disclosed
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
CN-1215391-A 6-phenylpyridyl-2-amine derivatives PFIZER (US) 1999-04-28 CN disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 WO disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO disclosed
US-4104384-A ANTISECRETORY, ANTIULCER, SPASMOLYTIC, ANTICHOLINERGIC, ANTIBRONCHOCONSTRICTIVE, ANALGESIC, ANTIINFLAMMATORY, ANTIHYPERTENSIVE, DIURETIC DELALANDE S.A. (FR) 1978-08-01 US disclosed
US-4072682-A New 1-(2'-aroyl eth-1' yl) 2-(4\"-acetamido piperazine-1\" yl methyl) benzimidazoles, their therapeutical applications and method for their preparation DELALANDE S.A. (FR) 1978-02-07 US 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 (4 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 CHRM5 207/4885CHRM3 150/4885KMT2A 1323/4885
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 CHRM5 172/4885CHRM3 240/4885KMT2A 1122/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 CHRM5 172/4885CHRM3 240/4885KMT2A 1122/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 CHRM5 172/4885CHRM3 240/4885KMT2A 1122/4885

“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.