SCHEMBL13136128

SCHEMBL13136128

CC(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
RECQL P46063 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HTR1A P08908 1/20 0.66
HTR2A P28223 1/20 0.66
HTR7 P34969 1/20 0.66
HTR6 P50406 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA9 Q16790 1/20 0.64
PANK3 Q9H999 1/20 0.61
AKR1C3 P42330 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL22054793 0.85 ALDH1A1 (0.57) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL8254249 0.84 LMNA (0.65) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL3557709 0.84 LMNA (0.65) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL14020487 0.84 SMN1; SMN2 (0.54) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL19701982 0.84 NOTUM (0.54) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL13453343 0.83 HTR1A (0.71) TSHRNPSR1HTR1AHTR2AHTR7
SCHEMBL14197088 0.82 KMT2A (0.59) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL9891789 0.82 MAPK1 (0.62) LMNATSHRMAPK1NPSR1AKR1C3
Hydrochloric Acid SCHEMBL6987067 0.82 LMNA (0.59) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL17884795 0.81 MEN1 (0.74) TSHRNPSR1HTR1AHTR2AHTR7

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 LMNA 4638/4885TSHR 1277/4885MAPK1 1264/4885

“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.