SCHEMBL12919

SCHEMBL12919

C[C@H]1CCCN(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.49
TLR7 Q9NYK1 1/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
NOTUM Q6P988 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LRRK2 Q5S007 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL10662242 1.00 MAPT (0.52) MAPTNPC1RAB9AADORA2AADORA1
SCHEMBL13056 1.00 MAPT (0.52) MAPTNPC1RAB9AADORA2AADORA1
SCHEMBL19364530 0.94 L3MBTL1 (0.49) MAPTNPC1RAB9AADORA2AADORA1
SCHEMBL12449707 0.88 NOTUM (0.55) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL12839 0.88 NOTUM (0.55) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL12449705 0.88 NOTUM (0.55) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL26326846 0.83 MAPT (0.49) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL26326854 0.83 MAPT (0.49) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL15383528 0.81 KDM4E (0.57) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL12432 0.81 CHKA (0.57) MAPTNPC1RAB9AADORA2AADORA1

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA MAPT 965/4885NPC1 2123/4885RAB9A 1288/4885

“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.