SCHEMBL7609804

SCHEMBL7609804

COc1ccccc1N1CCN(CC(N)Cc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR7 P34969 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL6474949 0.83 HTR1A (0.52) HTR1AALDH1A1GAAMAPTKDM4E
SCHEMBL6930821 0.81 MAPT (0.48) HTR1AALDH1A1GAAMAPTKDM4E
SCHEMBL7793671 0.79 ADRA1D (0.62) HTR1AALDH1A1MAPTMAPK1RECQL
Hydrochloric Acid SCHEMBL7029018 0.78 ADRA1D (0.61) HTR1AALDH1A1MAPTMAPK1RECQL
Hydrochloric Acid SCHEMBL7029024 0.78 ADRA1D (0.61) HTR1AALDH1A1MAPTMAPK1RECQL
SCHEMBL6936851 0.78 HTR1A (0.69) HTR1AALDH1A1MAPTMAPK1LMNA
SCHEMBL7609800 0.77 HTR1A (0.50) HTR1AALDH1A1GAAMAPTKDM4E
SCHEMBL7536579 0.76 HTR1A (0.56) HTR1AALDH1A1MAPTKDM4EMAPK1
SCHEMBL7786744 0.75 HTR7 (0.52) HTR1AALDH1A1MAPTKDM4EMAPK1
SCHEMBL26053888 0.75 ALDH1A1 (0.65) HTR1AALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US claimed
US-20020193383-A1 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMOANY 2002-12-19 US disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 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-20020193383-A1 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring NLN, GLS, CPT1B HTR1A 1328/4885ALDH1A1 312/4885GAA 1679/4885

“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.