SCHEMBL4628538

SCHEMBL4628538

O=C(O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.56
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
DRD4 P21917 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 1/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
ENPP2 Q13822 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR1A P08908 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL3435561 0.87 MAPT (0.54) GRM5MAPTLMNADRD4HTT
SCHEMBL18118448 0.86 DRD2 (0.58) GRM5DRD4HTTKMT2ADRD2
SCHEMBL9612238 0.84 DRD2 (0.62) GRM5DRD4HTTKMT2ADRD2
Acetic Acid SCHEMBL5411888 0.83 KMT2A (0.56) GRM5MAPTLMNADRD4HTT
SCHEMBL3435664 0.83 MAPT (0.50) GRM5MAPTLMNADRD4HTT
SCHEMBL1274938 0.83 HTT (0.73) GRM5MAPTLMNADRD4HTT
SCHEMBL22147373 0.82 MAPT (0.66) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL5411885 0.82 MAPT (0.54) GRM5MAPTLMNADRD4HTT
SCHEMBL4520581 0.81 KMT2A (0.61) MAPTLMNADRD4HTTKMT2A
Hydrochloric Acid SCHEMBL20168195 0.81 MAPT (0.64) MAPTLMNAHTTKMT2AALDH1A1

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 10 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
CN-1144799-C N-(iminomethyl) amine derivatives, their preparation, their use as medicines and compositions containing them ��ѧ�о���Ӧ����ѯ��˾ 2004-04-07 CN 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
CN-1335841-A N- (iminomethyl) amine derivatives, their preparation, their use as medicaments and pharmaceutical compositions containing them SOD CONSEILS RECH APPLIC (FR) 2002-02-13 CN 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 GRM5 1608/4885MAPT 633/4885LMNA 363/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 GRM5 1629/4885MAPT 744/4885LMNA 444/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 GRM5 1437/4885MAPT 629/4885LMNA 553/4885

“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.