SCHEMBL4577340

SCHEMBL4577340

CS(=O)(=O)Nc1ccc(NCC(=O)N2CCC(Oc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.56
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
NPY2R P49146 1/20 0.48
NAMPT P43490 5/20 0.47
OPRK1 P41145 1/20 0.45
PGR P06401 1/20 0.45
EPHX2 P34913 1/20 0.45
USP5 P45974 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
RAB9A P51151 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL4591719 0.81 MEN1 (0.55) ALDH1A1
SCHEMBL6344009 0.79 SCD (0.60) SCDALDH1A1KDM4EHTTNAMPT
SCHEMBL7368825 0.76 EPHX2 (0.59) SCDALDH1A1KDM4EHTTEPHX2
SCHEMBL4578119 0.75 EPHX2 (0.50) SCDALDH1A1KDM4ENAMPTEPHX2
SCHEMBL4577835 0.73 FAAH (0.53) ALDH1A1KDM4E
SCHEMBL10313329 0.73 KMT2A (0.67) SCDNAMPT
SCHEMBL4576995 0.73 GRIN2D (0.60) SCDALDH1A1KDM4EHTTNAMPT
SCHEMBL921890 0.73 MEN1 (0.65) SCDNAMPTEPHX2RAB9A
SCHEMBL4578078 0.73 YAP1 (0.55) SCDALDH1A1OPRK1EPHX2
SCHEMBL4577513 0.72 CA12 (0.53) ALDH1A1

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-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C SCD 3871/4885ALDH1A1 1856/4885KDM4E 1161/4885

“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.