SCHEMBL5440433

SCHEMBL5440433

O=C(NCC1(O)CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.69
CNR2 P34972 11/20 0.69
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
P2RX7 Q99572 1/20 0.45

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
SCHEMBL5237772 0.84 CNR1 (0.54) CNR1CNR2KDM4EMAPTP2RX7
SCHEMBL5158914 0.82 CNR1 (1.00) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5233179 0.81 CNR1 (0.98) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5163850 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL5231981 0.80 CNR1 (0.70) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236508 0.79 CNR1 (0.68) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5238904 0.78 CNR1 (0.72) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5318951 0.78 CNR1 (0.67) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236042 0.78 CNR1 (0.67) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236280 0.78 CNR1 (0.67) CNR1CNR2KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US claimed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN 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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CNR1 6/4885CNR2 11/4885KDM4E 2218/4885

“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.