SCHEMBL5470146

SCHEMBL5470146

O=C(NCCCN1CCCCC1)c1ccccc1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.65
OPRL1 P41146 1/20 0.65
SMYD2 Q9NRG4 4/20 0.58
TACR2 P21452 1/20 0.57
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
ACHE P22303 1/20 0.56
HTR3A P46098 1/20 0.55
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.54
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
DRD3 P35462 2/20 0.54
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
PPARG P37231 1/20 0.53

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
SCHEMBL18502024 0.89 SMYD2 (0.59) OPRK1OPRL1SMYD2TACR2CHRNB2
SCHEMBL14430712 0.82 SLC6A2 (0.69) SMYD2ACHEHTR3AKDM4EALDH1A1
SCHEMBL7692996 0.82 HTR4 (0.57) SMYD2KDM4EALDH1A1LMNATP53
SCHEMBL11275539 0.82 HTR4 (0.57) SMYD2KDM4EALDH1A1LMNATP53
SCHEMBL5474202 0.81 ALDH1A1 (0.71) SMYD2KDM4EALDH1A1KMT2AMEN1
SCHEMBL10652624 0.81 NAMPT (0.50) SMYD2ACHETP53POLB
SCHEMBL13164073 0.80 SMYD2 (0.62) SMYD2
SCHEMBL11276343 0.80 KDM4E (0.56) SMYD2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5477836 0.80 OPRL1 (0.66) OPRL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL1384427 0.79 ALDH1A1 (0.72) SMYD2KDM4EALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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 (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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A OPRK1 54/4885OPRL1 11/4885SMYD2 805/4885

“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.