SCHEMBL1448084

SCHEMBL1448084

CN1CCC(N(C)C(=O)c2cc[c]cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
LMNA P02545 2/20 0.47
BRD4 O60885 1/20 0.45
TAF1 P21675 1/20 0.45
CECR2 Q9BXF3 1/20 0.45
USP30 Q70CQ3 1/20 0.45
CCR5 P51681 2/20 0.44
PDK2 Q15119 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL28316145 0.87 ALDH1A1 (0.44) LMNAUSP30CCR5PDK2ALDH1A1
SCHEMBL3329900 0.84 CCR5 (0.55) MCHR1USP30CCR5HRH3JAK2
SCHEMBL25498560 0.83 LMNA (0.65) MCHR1LMNABRD4TAF1CECR2
SCHEMBL12082859 0.83 PDK2 (0.61) MCHR1LMNABRD4TAF1CECR2
SCHEMBL23387934 0.82 LMNA (0.43) MCHR1LMNABRD4TAF1CECR2
SCHEMBL1164100 0.82 MCHR1 (0.50) MCHR1LMNABRD4TAF1CECR2
SCHEMBL94337 0.82 MCHR1 (0.50) MCHR1LMNABRD4TAF1CECR2
SCHEMBL16553814 0.82 HTR2A (0.54) MCHR1LMNABRD4TAF1CECR2
SCHEMBL16578852 0.81 SMO (0.53) MCHR1LMNAUSP30CCR5PDK2
SCHEMBL3039614 0.80 SLC6A4 (0.43) MCHR1USP30PDK2ALDH1A1

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
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 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-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 MCHR1 389/4885LMNA 4102/4885BRD4 2516/4885

“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.