SCHEMBL7564800

SCHEMBL7564800

COc1ccc(Br)cc1C1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TACR1 P25103 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
RECQL P46063 1/20 0.40
ADRA1A P35348 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL7563760 0.98 MEN1 (0.57) MEN1KMT2ATACR1NPC1POLB
SCHEMBL31198298 0.84 MEN1 (0.45) MEN1KMT2ATACR1POLBALDH1A1
SCHEMBL31518263 0.83 MEN1 (0.78) MEN1KMT2ATACR1KCNH2CHRNB4
SCHEMBL30741566 0.82 MEN1 (0.58) MEN1KMT2ATACR1KCNH2CHRNB4
SCHEMBL20795542 0.82 MEN1 (0.58) MEN1KMT2ATACR1KCNH2CHRNB4
SCHEMBL932980 0.82 MEN1 (0.58) MEN1KMT2ATACR1KCNH2CHRNB4
SCHEMBL932979 0.82 MEN1 (0.58) MEN1KMT2ATACR1KCNH2CHRNB4
Hydrochloric Acid SCHEMBL932549 0.81 MEN1 (0.57) MEN1KMT2ATACR1KCNH2CHRNB4
Hydrochloric Acid SCHEMBL932548 0.81 MEN1 (0.57) MEN1KMT2ATACR1KCNH2CHRNB4
SCHEMBL22097399 0.79 MEN1 (0.43) MEN1KMT2AHTR2AHTR2C

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 1 patent. 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

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 MEN1 3127/4885KMT2A 1679/4885TACR1 1001/4885

“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.