SCHEMBL4979370

SCHEMBL4979370

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
RORC P51449 2/20 0.44
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
OPRK1 P41145 3/20 0.43
OPRD1 P41143 2/20 0.43
KDM1A O60341 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRIN2B Q13224 3/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL4979362 1.00 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14674895 0.90 RORC (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6099116 0.88 SMN1; SMN2 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6099121 0.88 SMN1; SMN2 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3728320 0.88 XIAP (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15676882 0.88 HDAC1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1196005 0.87 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1196006 0.87 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1195937 0.87 SMN1; SMN2 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1195938 0.87 SMN1; SMN2 (0.42) MEN1KMT2ANPSR1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716504-A Growth hormone secretagogue derivative and preparation method thereof 上海拓界生物医药科技有限公司 2022-07-08 CN disclosed
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 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 (2 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 MEN1 3648/4885KMT2A 2040/4885NPSR1 481/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 MEN1 3875/4885KMT2A 2103/4885NPSR1 192/4885

“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.