SCHEMBL4947466

SCHEMBL4947466

COS(=O)(=O)c1ccccc1.O=C(O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
KMT2A Q03164 4/20 0.50
AKR1C1 Q04828 1/20 0.47
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.43
HDAC1 Q13547 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
TET3 O43151 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
TET1 Q8NFU7 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CXXC4 Q9H2H0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL373567 0.82 AKR1C1 (0.68) OPRM1KMT2AAKR1C1CYP2C19HDAC1
Hydrochloric Acid SCHEMBL2552731 0.81 AKR1C1 (0.66) OPRM1KMT2AAKR1C1HDAC1TET3
Ammonia Solution, Strong SCHEMBL3210975 0.81 AKR1C1 (0.66) OPRM1KMT2AAKR1C1CYP2C19HDAC1
Hydrochloric Acid SCHEMBL18281540 0.81 AKR1C1 (0.66) OPRM1KMT2AAKR1C1HDAC1TET3
SCHEMBL378736 0.77 CYP2C19 (0.63) OPRM1KMT2AAKR1C1CYP2C19MEN1
SCHEMBL974744 0.75 OPRM1 (0.59) OPRM1KMT2ACYP2C19MEN1HDAC1
SCHEMBL378799 0.75 OPRM1 (0.70) OPRM1KMT2AMEN1HDAC1
SCHEMBL3565382 0.75 OPRM1 (0.51) OPRM1KMT2AAKR1C1CYP2C19MEN1
SCHEMBL16058193 0.74 KMT2A (0.57) OPRM1KMT2AAKR1C1CYP2C19MEN1
Hydrochloric Acid SCHEMBL2636222 0.74 OPRM1 (0.68) OPRM1KMT2AMEN1HDAC1

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
EP-1549646-A4 PIPERIDINE DERIVATIVES AMGEN INC (US) 2008-05-21 EP disclosed
EP-1549646-A2 PIPERIDINE DERIVATIVES Tularik Inc. (US) 2005-07-06 EP disclosed
US-20040142956-A1 Piperidine derivatives AMGEN INC. 2004-07-22 US disclosed
WO-2004028459-A2 PIPERIDINE DERIVATIVES TULARIK INC. (US) 2004-04-08 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-20040142956-A1 Piperidine derivatives VIPR2, VIPR1, GRPR OPRM1 163/4885KMT2A 3038/4885AKR1C1 1960/4885

“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.