SCHEMBL30032172

SCHEMBL30032172

CC(=O)N1CCN(C(=O)c2ccc(Br)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
P2RX7 Q99572 3/20 0.47
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 3/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL30031976 0.88 LMNA (0.60) HSP90AA1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1448439 0.88 LMNA (0.60) HSP90AA1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL3342742 0.86 HPGD (0.51) HSP90AA1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL30033208 0.86 HPGD (0.55) HSP90AA1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2106649 0.86 HPGD (0.55) HSP90AA1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL30032014 0.84 HPGD (0.58) HSP90AA1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1447592 0.83 KMT2A (0.67) HSP90AA1TSHRKMT2AMEN1LMNA
SCHEMBL30033450 0.82 MAPT (0.61) HSP90AA1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL1447959 0.82 MAPT (0.61) HSP90AA1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL30032106 0.81 POLB (0.56) KMT2AMEN1LMNAMAPK1GFER

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-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO 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-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 HSP90AA1 3568/4885SMN1; SMN2 4094/4885TSHR 589/4885

“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.