SCHEMBL2020894

SCHEMBL2020894

CNC(=O)c1ccc2[nH]c3c(c2c1)CC(C1CCOCC1)CC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.56
HTR1A P08908 2/20 0.56
HTR1D P28221 1/20 0.56
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HTR1E P28566 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1F P30939 1/20 0.45
CNR1 P21554 5/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL12574208 0.87 KMT2A (0.69) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2018573 0.87 KMT2A (0.69) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL12574206 0.87 KMT2A (0.69) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2016008 0.87 KMT2A (0.65) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2020454 0.85 KMT2A (0.52) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2048465 0.85 HTR1B (0.45) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2020998 0.79 CNR1 (0.49) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2045339 0.78 KMT2A (0.45) HTR1BHTR1AHTR1DRAB9AKMT2A
SCHEMBL2018448 0.78 CNR1 (0.60) HTR1BHTR1AHTR1DRAB9ACNR1
SCHEMBL2045340 0.77 HTR1B (0.48) HTR1BHTR1AHTR1DRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 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 (2 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 HTR1B 269/4885HTR1A 444/4885HTR1D 265/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 HTR1B 159/4885HTR1A 108/4885HTR1D 117/4885

“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.