SCHEMBL4975838

SCHEMBL4975838

CN1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2cc(F)cc(F)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
P2RY1 P47900 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TMEM97 Q5BJF2 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 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
SCHEMBL4975832 1.00 HDAC1 (0.47) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL29662002 0.88 TACR1 (0.50) HDAC1HDAC8HDAC6RORC
SCHEMBL20955073 0.86 XIAP (0.44) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL4974614 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL2625791 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL20955513 0.84 HDAC1 (0.45) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL4975988 0.80 MEN1 (0.45) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL4975981 0.80 MEN1 (0.45) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL1195682 0.79 HDAC1 (0.63) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL1195680 0.79 HDAC1 (0.63) HDAC1HDAC8HDAC6MEN1KMT2A

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-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 HDAC1 763/4885HDAC8 3379/4885HDAC6 2007/4885
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 HDAC1 682/4885HDAC8 1965/4885HDAC6 1218/4885

“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.