SCHEMBL760830

SCHEMBL760830

O=CNCCc1csc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
MTNR1A P48039 1/20 0.52
CYP2A6 P11509 3/20 0.51
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHRNA7 P36544 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8870175 0.79 IDO1 (0.57) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL25029541 0.79 IDO1 (0.54) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL6973697 0.78 IDO1 (0.60) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL31370245 0.77 MTNR1A (0.55) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL4332333 0.76 MTNR1A (0.65) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL761159 0.75 NQO2 (0.57) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL760833 0.75 MTNR1A (0.67) IDO1MTNR1ACYP2A6TAAR1SMN1; SMN2
SCHEMBL8763407 0.74 ADH1B (0.46) MTNR1ACA2CA12CA9TAAR1
SCHEMBL25029860 0.74 IDO1 (0.56) IDO1MTNR1ACYP2A6CA1CA2
SCHEMBL1445363 0.74 CYP2A6 (0.60) CYP2A6CA1CA2CA12CA4

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-8138218-B2 Growth hormone secretagogues IPSEN PHARMA S.A.S. (FR) 2012-03-20 US disclosed
US-20090131478-A1 Growth Hormone Secretagogues IPSEN PHARMA S.A.S. (FR) 2009-05-21 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-20090131478-A1 Growth Hormone Secretagogues GHSR, GHRHR, GHITM IDO1 3416/4885MTNR1A 478/4885CYP2A6 3012/4885

“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.