SCHEMBL7607947

SCHEMBL7607947

COc1cc([N+](=O)[O-])ccc1N1CCN(CC(N)c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GNRHR P30968 3/20 0.49
HTR1A P08908 3/20 0.47
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
POLB P06746 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42

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
SCHEMBL6935596 0.85 CACNA1G (0.51) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL7605695 0.80 CACNA1G (0.42) ALDH1A1MAPK1MAPTSMN1; SMN2HTR1A
SCHEMBL7607942 0.79 HTR1A (0.58) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL17631076 0.78 LMNA (0.56) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL6936851 0.78 HTR1A (0.69) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL6474949 0.77 HTR1A (0.52) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL6934208 0.76 HTR1A (0.59) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL25796957 0.76 ALDH1A1 (0.56) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL6930796 0.76 DRD2 (0.59) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL15540155 0.75 ALDH1A1 (0.55) LMNAALDH1A1MAPK1MAPTSMN1; SMN2

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 LMNA 2147/4885ALDH1A1 312/4885MAPK1 4376/4885

“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.