SCHEMBL12201899

SCHEMBL12201899

CC(C)(C)c1cccc(C(=O)NCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
RAB9A P51151 2/20 0.73
NR1H4 Q96RI1 6/20 0.67
HTT P42858 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
EGFR P00533 1/20 0.60
EPHX2 P34913 5/20 0.58
POLB P06746 1/20 0.57
CFD P00746 1/20 0.57
PPARG P37231 1/20 0.56

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
SCHEMBL12993425 0.91 NR1H4 (0.75) LMNARAB9ANR1H4HTTALDH1A1
SCHEMBL12042433 0.87 ALDH1A1 (0.60) LMNARAB9ANR1H4HTTSMN1; SMN2
SCHEMBL23447718 0.85 LMNA (0.74) LMNARAB9AALDH1A1GAAHSD17B10
SCHEMBL7113776 0.84 RAB9A (1.00) LMNARAB9ANR1H4HTTALDH1A1
SCHEMBL12993420 0.84 RAB9A (0.88) LMNARAB9ANR1H4HDAC8HDAC6
SCHEMBL11900328 0.84 HDAC6 (0.87) RAB9ANR1H4HTTSMN1; SMN2ALDH1A1
SCHEMBL14005562 0.84 ALDH1A1 (0.77) LMNAHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL13701748 0.82 HDAC2 (0.68) LMNARAB9ANR1H4HTTSMN1; SMN2
SCHEMBL1690491 0.82 HDAC2 (0.64) LMNARAB9ANR1H4HTTSMN1; SMN2
SCHEMBL23511445 0.82 LMNA (0.68) LMNARAB9ANR1H4HTTSMN1; SMN2

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
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 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-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 LMNA 4801/4885RAB9A 605/4885NR1H4 149/4885

“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.