SCHEMBL5564813

SCHEMBL5564813

Cc1nc2c3c(c(C(=O)O)cn2c1C)CCC(c1ccccc1)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
SRD5A1 P18405 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
BRD4 O60885 1/20 0.34
RIPK1 Q13546 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SPR P35270 1/20 0.33
DHODH Q02127 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5567085 0.91 CYP3A4 (0.41) HCAR2CYP3A4CYP2C9SRD5A1NPC1
SCHEMBL5567457 0.89 CYP3A4 (0.40) HCAR2CYP3A4CYP2C9SRD5A1NPC1
SCHEMBL5564848 0.89 CYP3A4 (0.40) HCAR2CYP3A4CYP2C9SRD5A1NPC1
SCHEMBL5567700 0.89 SPR (0.41) HCAR2CYP3A4CYP2C9NPC1RAB9A
SCHEMBL5567092 0.88 CYP3A4 (0.39) HCAR2CYP3A4CYP2C9NPC1RAB9A
SCHEMBL5568619 0.86 ALDH1A1 (0.42) CYP3A4CYP2C9NPC1RAB9ASPR
SCHEMBL5567826 0.83 CYP3A4 (0.42) HCAR2CYP3A4CYP2C9SRD5A1PDE3B
SCHEMBL5567838 0.82 CYP3A4 (0.41) HCAR2CYP3A4CYP2C9SRD5A1NPC1
SCHEMBL5568547 0.80 CYP3A4 (0.41) HCAR2CYP3A4CYP2C9SRD5A1BRD4
SCHEMBL5563027 0.79 HCAR2 (0.36) HCAR2CYP3A4CYP2C9SRD5A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203114-A1 7,8,9,10-Tetrahydro-Imidazo [2,1-A] Isochinolines ALTANA PHARMA AG (DE) 2007-08-30 US disclosed
EP-1805173-A2 7, 8, 9, 10- TETRAHYDRO-IMIDAZO [2,1-A] ISOQUINOLINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS Altana Pharma AG (DE) 2007-07-11 EP disclosed
WO-2005090346-A2 7, 8, 9, 10- TETRAHYDRO-IMIDAZO [2,1-A] ISOQUINOLINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 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-20070203114-A1 7,8,9,10-Tetrahydro-Imidazo [2,1-A] Isochinolines GIPR, CCKBR, SLC10A2 HCAR2 296/4885CYP3A4 292/4885CYP2C9 112/4885

“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.