SCHEMBL4570136

SCHEMBL4570136

CCOC(=O)Nc1ccc(N2CCC[C@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
ALK Q9UM73 5/20 0.39
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EML4 Q9HC35 4/20 0.37
EPHX2 P34913 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NR1I3 Q14994 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FLT3 P36888 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL17082166 1.00 TAAR1 (0.39) TAAR1ALKS1PR1ALDH1A1EML4
SCHEMBL4570095 0.94 ALDH1A1 (0.43) TAAR1S1PR1ALDH1A1EPHX2MAPT
SCHEMBL17081995 0.94 ALDH1A1 (0.43) TAAR1S1PR1ALDH1A1EPHX2MAPT
SCHEMBL17082167 0.94 TP53 (0.40) TAAR1ALKS1PR1EML4MAPT
SCHEMBL4570138 0.94 TP53 (0.40) TAAR1ALKS1PR1EML4MAPT
SCHEMBL4570137 0.92 S1PR1 (0.41) TAAR1ALKS1PR1EML4MAPT
SCHEMBL17081999 0.92 S1PR1 (0.41) TAAR1ALKS1PR1EML4MAPT
SCHEMBL4570139 0.92 ALK (0.36) TAAR1ALKS1PR1EML4MAPT
SCHEMBL17082089 0.92 ALK (0.36) TAAR1ALKS1PR1EML4MAPT
SCHEMBL4570097 0.90 ALK (0.35) TAAR1ALKS1PR1EML4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 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 (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 TAAR1 3025/4885ALK 3964/4885S1PR1 1221/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 TAAR1 3025/4885ALK 3964/4885S1PR1 1221/4885

“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.