SCHEMBL4976000

SCHEMBL4976000

CC(C)(C)[Si](OCC(O)c1ccccc1Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ BLM P54132 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ SMYD2 Q9NRG4 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ OPRL1 P41146 1/20 0.30

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
SCHEMBL7247963 0.81 RIPK1 (0.45) IDO1CYP3A4SMN1; SMN2HTTRIPK1
SCHEMBL24312400 0.79 CYP2D6 (0.38) CYP3A4SMN1; SMN2HTTKMT2ASMYD2
SCHEMBL644520 0.77 LMNA (0.46) CYP3A4SMN1; SMN2HTTALDH1A1SMYD2
SCHEMBL13739244 0.77 LMNA (0.46) CYP3A4SMN1; SMN2HTTALDH1A1SMYD2
SCHEMBL7155286 0.77 CYP2D6 (0.37) CYP3A4SMN1; SMN2HTTKMT2ASMYD2
SCHEMBL644521 0.77 LMNA (0.46) CYP3A4SMN1; SMN2HTTALDH1A1SMYD2
SCHEMBL15892783 0.76 CYP3A4 (0.35) CYP3A4SMN1; SMN2HTTALDH1A1SMYD2
SCHEMBL21873649 0.76 CYP1A2 (0.42) CYP3A4SMN1; SMN2HTTMEN1KMT2A
SCHEMBL218117 0.76 CYP1A2 (0.42) CYP3A4SMN1; SMN2HTTMEN1KMT2A
SCHEMBL2531862 0.76 CYP1A2 (0.42) CYP3A4SMN1; SMN2HTTMEN1KMT2A

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 6 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
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 — — EP 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
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 — — 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 (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 IDO1 2029/4885TDO2 3049/4885SLC18A3 3734/4885
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 IDO1 866/4885TDO2 2063/4885SLC18A3 2071/4885

“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.

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