SCHEMBL701562

SCHEMBL701562

CN(C)CCC1(c2cccnc2)CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
EPHX2 P34913 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
P2RX7 Q99572 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL701189 0.93 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL710728 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL10246201 0.85 GPR119 (0.50) CYP2C9TACR1
SCHEMBL3441634 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL707423 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL16915680 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL698464 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL701128 0.79 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL10246536 0.79 CCR5 (0.49) CYP2C9TACR1
SCHEMBL3441676 0.75 ALDH1A1 (0.75) MEN1KMT2AALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 MEN1 3536/4885KMT2A 3631/4885ALDH1A1 958/4885

“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.