SCHEMBL4299609

SCHEMBL4299609

[CH2]COCC(=O)N1CCC(OCCN2CCCC2)(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
LTA4H P09960 1/20 0.40
USP2 O75604 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.35
GRM5 P41594 1/20 0.35
DRD2 P14416 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 2/20 0.34
MDH1 P40925 1/20 0.34
MDH2 P40926 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3441696 0.84 EPHX2 (0.43) TACR1LTA4HUSP2MEN1KMT2A
SCHEMBL3442275 0.80 MAPT (0.47) TACR1LTA4HALDH1A1HRH3
SCHEMBL4295153 0.78 BDKRB1 (0.43) TACR1
SCHEMBL4295150 0.78 TACR1 (0.36) TACR1USP2MEN1KMT2ACYP3A4
SCHEMBL4296017 0.76 BDKRB1 (0.49) MEN1KMT2A
SCHEMBL3441700 0.75 LTA4H (0.44) LTA4HALDH1A1HRH3DRD2KCNH2
SCHEMBL4290344 0.75 BDKRB1 (0.40) USP2MEN1KMT2ACYP3A4
SCHEMBL4305153 0.75 BDKRB1 (0.35) TACR1
SCHEMBL3442277 0.74 LTA4H (0.40) LTA4HCYP3A4ALDH1A1HRH3EPHX2
SCHEMBL4295235 0.74 CCR1 (0.33) TACR1MCHR1

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 TACR1 45/4885LTA4H 400/4885USP2 4009/4885

“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.