SCHEMBL13990899

SCHEMBL13990899

Cc1c(C)c(C)n(CC2CCCCC2)c(=O)c1C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGER4 P35408 1/20 0.45
RORC P51449 1/20 0.44
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL2736554 0.82 CNR2 (0.64) CNR1NPC1RAB9ACNR2ALDH1A1
SCHEMBL13991143 0.77 CNR2 (0.67) CNR1CNR2ALDH1A1CYP2C19KDM4E
SCHEMBL2736552 0.76 MEN1 (0.61) CNR1NPC1RAB9ACNR2ALDH1A1
SCHEMBL2736555 0.72 CNR2 (0.52) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL8244798 0.69 HIF1A (0.67) NPC1ALDH1A1KDM4ETDP1LMNA
SCHEMBL13468757 0.68 RORC (0.49) CNR1CNR2ALDH1A1RORCHTT
SCHEMBL27680168 0.68 CNR1 (0.59) CNR1CNR2
SCHEMBL2736780 0.68 CNR1 (0.57) CNR1CNR2ALDH1A1KDM4EPOLB
SCHEMBL5524504 0.68 CNR1 (0.71) CNR1CNR2ALDH1A1POLBHPGD
SCHEMBL5517849 0.68 CNR1 (0.71) CNR1CNR2ALDH1A1POLBHPGD

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-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR1 1/4885NPC1 2141/4885RAB9A 3433/4885

“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.