SCHEMBL5568619

SCHEMBL5568619

Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CCC(c1ccccc1)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FASN P49327 1/20 0.41
PLAUR Q03405 1/20 0.40
CNR1 P21554 1/20 0.39
TSHR P16473 3/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
SPR P35270 2/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL5567700 0.91 SPR (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5564813 0.86 HCAR2 (0.43) NPC1RAB9ATSHRPOLBHSD17B10
SCHEMBL5567085 0.84 CYP3A4 (0.41) KDM4ENPC1RAB9ATSHRPOLB
SCHEMBL5564848 0.82 CYP3A4 (0.40) ALDH1A1KDM4ETP53NPC1RAB9A
SCHEMBL5567457 0.82 CYP3A4 (0.40) ALDH1A1KDM4ENPC1RAB9ACYP3A4
SCHEMBL4600155 0.81 CYP3A4 (0.57) ALDH1A1KDM4ETP53SMN1; SMN2NPC1
SCHEMBL4599316 0.81 CYP3A4 (0.57) ALDH1A1KDM4ETP53SMN1; SMN2NPC1
SCHEMBL5567092 0.81 CYP3A4 (0.39) ALDH1A1KDM4ETP53SMN1; SMN2NPC1
SCHEMBL5567826 0.76 CYP3A4 (0.42) TSHRPOLBHSD17B10CYP3A4CYP2C9
SCHEMBL5567838 0.76 CYP3A4 (0.41) NPC1RAB9ATSHRPOLBHSD17B10

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 1 patent. 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

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 ALDH1A1 164/4885KDM4E 3648/4885TP53 3602/4885

“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.