SCHEMBL7923010

SCHEMBL7923010

Cc1cnc2c(c1)C(C)CO2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TOP2A P11388 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL25722922 0.77 P2RX7 (0.32)
SCHEMBL25230326 0.74 CHRM5 (0.30) TOP2A
SCHEMBL27423400 0.71 CYP1A2 (0.31) CYP1A2
SCHEMBL7921143 0.70 CCR1 (0.31) CCR1CCR5CCR8NOS3NOS1
SCHEMBL23416689 0.69 ALPL (0.34)
SCHEMBL23416690 0.69 ALPL (0.34)
SCHEMBL30456214 0.68 P2RX7 (0.44)
SCHEMBL10297724 0.68 P2RX7 (0.44)
SCHEMBL7922897 0.67 P2RX7 (0.37) CYP1A2TOP2A
SCHEMBL7923045 0.67 CYP1A2 (0.32) CYP1A2CCR1CCR5CCR8NOS3

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
WO-2019023635-A1 SUBSTITUTED-3H-IMIDAZO(4,5-C)PYRIDINE AND 1H-PYRROLO(2,3-C)PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHSPHATASE/PHOSPHODIESTRASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATOR AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2019-01-31 WO disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP1A2 2432/4885CCR1 1872/4885CCR5 1490/4885

“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.