SCHEMBL4627007

SCHEMBL4627007

NCCCOc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.60
HTR1B P28222 2/20 0.57
BCHE P06276 1/20 0.50
CHRNB2 P17787 1/20 0.50
ACHE P22303 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
DNM1 Q05193 2/20 0.49
TLR4 O00206 4/20 0.48
DRD2 P14416 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
KCNK2 O95069 1/20 0.48
ABCB11 O95342 1/20 0.48
APP P05067 1/20 0.48
ABCB1 P08183 1/20 0.48

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
SCHEMBL6925186 0.92 ADRB2 (0.58) ADRB2HTR1BBCHECHRNB2ACHE
SCHEMBL30493558 0.92 ADRB2 (0.58) ADRB2HTR1BBCHECHRNB2ACHE
SCHEMBL5747923 0.88 ABCG2 (0.61) ADRB2HTR1BBCHECHRNB2ACHE
SCHEMBL5749626 0.85 HTR1B (0.51) ADRB2HTR1BBCHECHRNB2ACHE
SCHEMBL30692087 0.83 ADRB2 (0.59) ADRB2BCHECHRNB2ACHECHRNA7
SCHEMBL14046114 0.83 ADRB2 (0.61) ADRB2BCHECHRNB2ACHECHRNA7
SCHEMBL6472027 0.83 ADRB2 (0.58) ADRB2BCHECHRNB2ACHECHRNA7
SCHEMBL5746678 0.81 HTR1B (0.57) ADRB2HTR1BMAPTKDM4EMAPK1
SCHEMBL1731764 0.80 ADRB2 (0.55) ADRB2BCHECHRNB2ACHECHRNA7
SCHEMBL6562854 0.80 TLR4 (0.58) ADRB2BCHECHRNB2ACHECHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115720-B1 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2008-07-02 EP disclosed
US-7186752-B2 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS (FR) 2007-03-06 US disclosed
US-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS 2005-09-08 US disclosed
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-03 US disclosed
US-6809090-B2 NITROGEN MONOXIDE SYNTHASE AND/OR LIPIDIC PEROXIDATION INHIBITORS IPSEN PHARMA S.A.S. (FR) 2004-10-26 US disclosed
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-05-20 US disclosed
US-6620840-B1 Nitric oxide synthase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-16 US disclosed
US-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 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 (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-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 ADRB2 251/4885HTR1B 705/4885BCHE 1517/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 ADRB2 200/4885HTR1B 497/4885BCHE 1460/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 ADRB2 200/4885HTR1B 570/4885BCHE 1705/4885

“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.