SCHEMBL4577153

SCHEMBL4577153

O=C(CCl)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
P2RY14 Q15391 6/20 0.52
CYP3A4 P08684 1/20 0.49
P2RY6 Q15077 1/20 0.49
ROCK2 O75116 1/20 0.47
EGFR P00533 2/20 0.46
EPHX1 P07099 1/20 0.46
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
MITF O75030 2/20 0.45
LMNA P02545 1/20 0.45
JAK3 P52333 1/20 0.45
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL22900681 0.87 NAMPT (0.54) NAMPTP2RY14CYP3A4P2RY6ROCK2
SCHEMBL9059896 0.84 NAMPT (0.52) NAMPTP2RY14CYP3A4P2RY6ROCK2
SCHEMBL5265934 0.81 NAMPT (0.51) NAMPTP2RY14CYP3A4P2RY6ROCK2
SCHEMBL13373422 0.81 NAMPT (0.81) NAMPTROCK2RAB9AMAPTALDH1A1
SCHEMBL839649 0.80 KDM4E (0.54) NAMPTP2RY14ROCK2EPHX1RAB9A
SCHEMBL11582797 0.80 EPHX1 (0.56) NAMPTP2RY14EPHX1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL2397058 0.79 KDM4E (0.53) NAMPTP2RY14ROCK2EPHX1RAB9A
SCHEMBL9960184 0.79 NAMPT (0.62) NAMPTROCK2RAB9AMAPTHTT
SCHEMBL25430141 0.78 TERT (0.62) ALDH1A1HTTJAK3SMN1; SMN2NPC1
SCHEMBL31150469 0.78 TERT (0.62) ALDH1A1HTTJAK3SMN1; SMN2NPC1

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 4 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
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO 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 NAMPT 4083/4885P2RY14 543/4885CYP3A4 2995/4885

“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.