SCHEMBL3589553

SCHEMBL3589553

COCCN1CCN(c2ccc(CC#N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
HSD17B10 Q99714 1/20 0.43
TLR9 Q9NR96 1/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AURKA O14965 1/20 0.40
CDK4 P11802 1/20 0.40
USP28 Q96RU2 1/20 0.40
USP25 Q9UHP3 1/20 0.40
HTR2A P28223 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHKA P35790 1/20 0.39
CTSD P07339 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL20241810 0.82 HRH3 (0.53) DRD2ADRA1DADRA1AADRA1B
SCHEMBL20306340 0.82 DRD2 (0.54) DRD2HSD17B10MAPTNPSR1SIGMAR1
SCHEMBL4577059 0.81 DRD2 (0.49) DRD2HSD17B10TLR9ADRA1AMAPT
SCHEMBL3585755 0.80 NCF1 (0.55) MAPTHTR2AL3MBTL1KMT2ACHKA
SCHEMBL4576403 0.79 DRD2 (0.48) DRD2HSD17B10MAPTNPSR1USP28
SCHEMBL6487420 0.79 KDM4E (0.63) DRD2HTR2ASIGMAR1HTR1A
SCHEMBL8350747 0.79 MAPT (0.58) DRD2HSD17B10ADRA1DADRA1AADRA1B
SCHEMBL8351013 0.78 DRD2 (0.47) DRD2HSD17B10TLR9ADRA1AMAPT
SCHEMBL4576409 0.78 DRD2 (0.47) DRD2HSD17B10MAPTNPSR1USP28
SCHEMBL24681554 0.77 KDM4E (0.60) DRD2MAPTHTR2ASIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN DRD2 4782/4885HSD17B10 4341/4885TLR9 2898/4885

“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.