SCHEMBL10071978

SCHEMBL10071978

CN(C(=O)NC1CCNCC1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.73
EPHX1 P07099 2/20 0.44
F2R P25116 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR4 Q13639 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
FASN P49327 1/20 0.41
POLB P06746 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
BTK Q06187 1/20 0.40
CHEK1 O14757 1/20 0.40

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
Water SCHEMBL27570819 0.98 PKM (0.71) PKMEPHX1F2RDRD2DRD3
SCHEMBL20556166 0.82 PKM (0.49) PKMEPHX1CHRM2CHRM1CHRM3
SCHEMBL20556075 0.78 PKM (0.46) PKMEPHX1CHRM2CHRM1CHRM3
SCHEMBL27589350 0.78 NPC1 (0.50) PKMEPHX1
SCHEMBL4802576 0.76 LMNA (0.49) PKMFASNPOLB
SCHEMBL3426971 0.75 PKM (0.43) PKMEPHX1CHRM2CHRM1CHRM3
SCHEMBL1596519 0.75 EPHX1 (0.59) PKMEPHX1POLB
SCHEMBL10071982 0.73 KMT2A (0.65) PKMDRD2CHRM2CHRM1CHRM3
SCHEMBL14543277 0.73 PKM (0.46) PKMPOLBCHEK1
SCHEMBL14337147 0.72 NPY5R (0.69) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114379-B2 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION (US) 2012-02-14 US disclosed
US-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process THE GENERAL HOSPITAL CORPORATION (US) 2009-07-30 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-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process NR2E3, DRD2, HCRTR1 PKM 1864/4885EPHX1 2126/4885F2R 2769/4885

“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.