SCHEMBL2269349

SCHEMBL2269349

Cc1ccnc(C2(O)CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.41
OPRM1 P35372 4/20 0.39
OPRL1 P41146 3/20 0.39
DRD2 P14416 1/20 0.39
UHRF1 Q96T88 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKB Q96GD4 3/20 0.34
INCENP Q9NQS7 3/20 0.34
PIM1 P11309 1/20 0.34

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
Hydrochloric Acid SCHEMBL5696501 0.98 SYK (0.40) SYKOPRM1OPRL1DRD2UHRF1
SCHEMBL20909918 0.84 UHRF1 (0.42) SYKOPRM1OPRL1UHRF1CCR1
SCHEMBL2220946 0.76 SYK (0.38) SYKOPRM1UHRF1CCR1CCR5
SCHEMBL20909888 0.76 UHRF1 (0.41) OPRM1OPRL1UHRF1CCR1CCR5
SCHEMBL20909880 0.75 UHRF1 (0.39) SYKOPRM1OPRL1UHRF1CCR1
SCHEMBL17128356 0.75 OPRM1 (0.42) SYKOPRM1DRD2SIGMAR1NOS3
SCHEMBL5696496 0.74 CYP46A1 (0.42) SYKOPRM1OPRL1CCR1CCR5
SCHEMBL171507 0.74 OPRM1 (0.53) OPRM1OPRL1DRD2CCR1SIGMAR1
SCHEMBL29602661 0.74 OPRM1 (0.53) OPRM1OPRL1DRD2CCR1SIGMAR1
Hydrochloric Acid SCHEMBL20744290 0.72 OPRM1 (0.51) OPRM1OPRL1DRD2CCR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
EP-1673367-A1 FUSED LACTAM COMPOUNDS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035523-A1 FUSED LACTAM COMPOUNDS PFIZER JAPAN INC. (JP) 2005-04-21 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 SYK 4312/4885OPRM1 210/4885OPRL1 295/4885

“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.