SCHEMBL12464826

SCHEMBL12464826

CC[C@@H](C)c1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
GOT1 P17174 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNA5 P22460 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
SCHEMBL8819171 1.00 TSHR (0.36) TSHRGOT1CTDSP1NPC1RAB9A
SCHEMBL22460414 1.00 TSHR (0.36) TSHRGOT1CTDSP1NPC1RAB9A
SCHEMBL27133573 0.94 TSHR (0.33) TSHRGOT1CTDSP1NPC1RAB9A
SCHEMBL13848610 0.84 FAAH (0.34) GOT1CTDSP1CYP1A2P2RX7SMN1; SMN2
SCHEMBL23750446 0.81 FAAH (0.35) CTDSP1TDP1L3MBTL1KCNA5KCNH2
SCHEMBL12469850 0.81 GOT1 (0.34) TSHRGOT1CTDSP1CYP1A2P2RX7
SCHEMBL22647103 0.80 FAAH (0.38) ALDH1A1TDP1L3MBTL1KCNH2
SCHEMBL19308338 0.78 FAAH (0.40) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL30664064 0.78 FAAH (0.40) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL807732 0.78

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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 TSHR 3378/4885GOT1 2980/4885CTDSP1 2289/4885

“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.