SCHEMBL9970754

SCHEMBL9970754

CNCC1CCN(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
TDP1 Q9NUW8 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MCL1 Q07820 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
NOTUM Q6P988 1/20 0.46
DPP4 P27487 2/20 0.44
BPTF Q12830 1/20 0.43
MAPK1 P28482 4/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
SYK P43405 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CARM1 Q86X55 3/20 0.42
PRMT6 Q96LA8 3/20 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
SCHEMBL10154050 0.90 ADRA1D (0.51) MAPK1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL3440166 0.84 ROCK2 (0.49) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL14175703 0.81 MAPT (0.63) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL4396441 0.81 DPP4 (0.51) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL14207435 0.80 MEN1 (0.55) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL3536125 0.78 NOTUM (0.47) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL9967187 0.77 BPTF (0.67) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL10177792 0.77 BPTF (0.67) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL14175711 0.77 NOTUM (0.50) MAPTTDP1ALDH1A1MCL1KDM4E
SCHEMBL10178032 0.77 BPTF (0.67) MAPTTDP1ALDH1A1MCL1KDM4E

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-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 MAPT 2447/4885TDP1 3665/4885ALDH1A1 388/4885

“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.