SCHEMBL4915799

SCHEMBL4915799

COc1ccc(CN2CCC(C(C)(C)C(=O)NCc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)CC2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ACKR3 P25106 6/20 0.49
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR4 Q13639 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR3 P51677 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPK14 Q16539 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
SCHEMBL4922456 0.92 ALDH1A1 (0.50) MEN1KMT2ALMNASMN1; SMN2MCHR1
SCHEMBL4923562 0.92 TSHR (0.54) L3MBTL1ACKR3TSHRDRD2DRD3
SCHEMBL4917794 0.91 LMNA (0.52) L3MBTL1ACKR3TSHRMEN1KMT2A
SCHEMBL4923485 0.84 ALDH1A1 (0.59) ACKR3TSHRMEN1KMT2ALMNA
SCHEMBL4920802 0.84 SMN1; SMN2 (0.51) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4917352 0.82 SMN1; SMN2 (0.49) TSHRDRD2DRD3MEN1KMT2A
SCHEMBL4915790 0.80 ACKR3 (0.46) L3MBTL1ACKR3TSHRDRD2DRD3
SCHEMBL4922789 0.80 TSHR (0.60) L3MBTL1ACKR3TSHRMEN1KMT2A
SCHEMBL14586598 0.79 LMNA (0.55) L3MBTL1ACKR3TSHRLMNASMN1; SMN2
SCHEMBL4918023 0.78 TSHR (0.57) ACKR3TSHRDRD2DRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2008-04-03 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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity CCR1, CCR3, CCR2 L3MBTL1 1904/4885ACKR3 5/4885TSHR 727/4885

“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.