SCHEMBL4916477

SCHEMBL4916477

COc1ccc(CNC(=O)c2ccc(CNC(=O)C(C)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CCR3 P51677 1/20 0.54
CACNA1G O43497 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACKR3 P25106 1/20 0.51
CHRM4 P08173 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SSTR3 P32745 1/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48

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
SCHEMBL4924140 0.89 ALDH1A1 (0.59) TSHRCACNA1GSMN1; SMN2ALDH1A1MEN1
SCHEMBL4915838 0.85 TSHR (0.64) TSHRCCR3CACNA1GSMN1; SMN2MEN1
SCHEMBL4915835 0.85 CCR3 (0.74) TSHRCCR3MEN1KMT2APRKAB2
SCHEMBL4922782 0.81 TSHR (0.55) TSHRCCR3CACNA1GSMN1; SMN2NPC1
SCHEMBL4922789 0.81 TSHR (0.60) TSHRCCR3CACNA1GSMN1; SMN2NPC1
SCHEMBL4916472 0.81 TSHR (0.60) TSHRCCR3CACNA1GSMN1; SMN2MEN1
SCHEMBL4920750 0.81 TSHR (0.53) TSHRCCR3CACNA1GSMN1; SMN2NPC1
SCHEMBL4914266 0.81 LMNA (0.54) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4921760 0.81 TSHR (0.55) TSHRCCR3CACNA1GSMN1; SMN2ACKR3
SCHEMBL4916458 0.80 TSHR (0.56) TSHRCCR3CACNA1GSMN1; SMN2MEN1

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 TSHR 727/4885CCR3 2/4885CACNA1G 1431/4885

“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.