SCHEMBL7576759

SCHEMBL7576759

c1ccc(-c2ccccc2CN[C@H]2CCCc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 2/20 0.54
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
DHFR P00374 1/20 0.47
HTT P42858 1/20 0.46
PRMT5 O14744 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRB3 P13945 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6254306 0.90 KDM4E (0.57) KDM4EALDH1A1KMT2ADHFRPRMT5
SCHEMBL6269468 0.90 KDM4E (0.54) KDM4EALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL6256012 0.89 KDM4E (0.58) KDM4EALDH1A1KMT2ADHFRPRMT5
SCHEMBL6251312 0.87 KDM4E (0.53) KDM4EALDH1A1KMT2ADHFRHTT
SCHEMBL7048944 0.81 KDM4E (0.63) KDM4EALDH1A1KMT2AHTTPRMT5
SCHEMBL2704412 0.80 KDM4E (0.65) KDM4EALDH1A1KMT2AHTTPRMT5
SCHEMBL6252685 0.80 KDM4E (0.65) KDM4EALDH1A1KMT2AHTTPRMT5
SCHEMBL6255023 0.77 KDM4E (0.60) KDM4EALDH1A1KMT2ADHFRHTT
SCHEMBL7050273 0.77 KDM4E (0.58) KDM4EALDH1A1KMT2APRMT5
SCHEMBL6252670 0.77 KDM4E (0.54) KDM4EALDH1A1KMT2AHTTPRMT5

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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KDM4E 3624/4885ALDH1A1 404/4885KMT2A 3665/4885

“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.