SCHEMBL5031969

SCHEMBL5031969

CC(C)(C)c1cc(C(=O)NCC(=O)N[C@H]2CC[C@@H]3C[C@@H]2C(=O)N3)ccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.40
CCR3 P51677 1/20 0.40
TAOK1 Q7L7X3 2/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
BRD4 O60885 5/20 0.39
MAOB P27338 3/20 0.38
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL5031967 1.00 CCR2 (0.40) CCR2CCR3TAOK1SMPD1HDAC1
SCHEMBL5030397 0.79 CCR2 (0.40) CCR2CCR3TAOK1SMPD1HDAC1
SCHEMBL5030286 0.76 RXRA (0.55) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL5029139 0.74 PTPRC (0.56) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL5364510 0.70 RXRA (0.60) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL5030365 0.69 RXRA (0.72) RXRARXRBRXRG
SCHEMBL8908814 0.68 RXRA (0.63) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL22288724 0.67 RXRA (0.53) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL28033750 0.66 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL18586754 0.65 RXRA (0.59) SMPD1HDAC1HDAC8HDAC6RXRA

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-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCR2 3/4885CCR3 8/4885TAOK1 2822/4885

“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.