SCHEMBL12449705

SCHEMBL12449705

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
USP2 O75604 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
PKM P14618 1/20 0.48
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP4 P27487 2/20 0.47
GAA P10253 1/20 0.47
PDK2 Q15119 1/20 0.47
ACHE P22303 1/20 0.44
CHRNA7 P36544 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CHRNB2 P17787 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL12449707 1.00 NOTUM (0.55) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL12839 1.00 NOTUM (0.55) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL27439451 0.89 USP2 (0.47) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL12919 0.88 MAPT (0.52) NOTUMMEN1KMT2AMBTD1L3MBTL3
SCHEMBL13056 0.88 MAPT (0.52) NOTUMMEN1KMT2AMBTD1L3MBTL3
SCHEMBL10662242 0.88 MAPT (0.52) NOTUMMEN1KMT2AMBTD1L3MBTL3
Nitrogen SCHEMBL11225878 0.88 NOTUM (0.45) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL761910 0.87 USP2 (0.61) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL19364530 0.86 L3MBTL1 (0.49) NOTUMMEN1KMT2AMBTD1L3MBTL3
Ammonia Solution, Strong SCHEMBL8126982 0.85 USP2 (0.59) NOTUMUSP2MEN1KMT2ATSHR

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
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
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

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 NOTUM 3606/4885USP2 4237/4885MEN1 1024/4885

“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.