SCHEMBL4972191

SCHEMBL4972191

CC(C)(C)C(NC(=O)O)C(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
HPGD P15428 1/20 0.39
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
CHKA P35790 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
RRM1 P23921 1/20 0.31
RRM2 P31350 1/20 0.31
RRM2B Q7LG56 1/20 0.31

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
SCHEMBL4975517 0.84 PLD1 (0.37) CCR1
SCHEMBL16602550 0.84 CCR1 (0.41) CCR1HPGDRRM1RRM2RRM2B
SCHEMBL27154468 0.77 CHRM5 (0.42) HPGDCA2CA12CA1CA9
SCHEMBL27154469 0.77 CHRM5 (0.42) HPGDCA2CA12CA1CA9
SCHEMBL6015101 0.76 CCR1 (0.42) CCR1CNR2
SCHEMBL3321981 0.74 CCR1 (0.48) CCR1
SCHEMBL6015115 0.73 L3MBTL3 (0.43) CCR1CHRM3SIGMAR1POLB
SCHEMBL30232419 0.73 HPGD (0.44) HPGDCA2CA12CA1CA9
SCHEMBL15203528 0.71 CTSS (0.38) CCR1CNR2
SCHEMBL15254954 0.71 CCR1 (0.41) CCR1CHRM5CHRM3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 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-20080318945-A1 Novel Compounds TRPV4, TRPV1, TRPV3 CCR1 919/4885HPGD 1915/4885CA2 520/4885

“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.