SCHEMBL7563807

SCHEMBL7563807

COc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 1/20 0.61
TACR1 P25103 1/20 0.58
KCNJ1 P48048 1/20 0.57
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.49
HTR6 P50406 1/20 0.48
LMNA P02545 1/20 0.48
CTSB P07858 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL2073757 0.90 KCNJ1 (0.57) ALDH1A1SMN1; SMN2HPGDTACR1KCNJ1
Hydrochloric Acid SCHEMBL7564284 0.88 KCNJ1 (0.58) ALDH1A1SMN1; SMN2HPGDTACR1KCNJ1
SCHEMBL7422612 0.86 TACR1 (0.58) ALDH1A1SMN1; SMN2HPGDTACR1KCNJ1
SCHEMBL922716 0.86 KCNJ1 (0.74) ALDH1A1SMN1; SMN2HPGDTACR1KCNJ1
SCHEMBL8718280 0.85 KCNJ1 (0.61) ALDH1A1SMN1; SMN2HPGDTACR1KCNJ1
SCHEMBL8715361 0.85 KCNJ1 (0.55) ALDH1A1SMN1; SMN2HPGDTACR1KCNJ1
SCHEMBL20272178 0.83 MAPT (0.60) ALDH1A1SMN1; SMN2TACR1KCNJ1KDM4E
SCHEMBL17979918 0.82 LMNA (0.51) ALDH1A1SMN1; SMN2KDM4EL3MBTL1HTR6
SCHEMBL25416781 0.81 CTSB (0.71) ALDH1A1SMN1; SMN2KDM4EHTTHTR6
SCHEMBL14999775 0.81 CDK1 (0.50) ALDH1A1SMN1; SMN2KCNJ1KDM4EHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO 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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB ALDH1A1 784/4885SMN1; SMN2 610/4885HPGD 283/4885

“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.