SCHEMBL12510367

SCHEMBL12510367

Cc1nnc2n1Cc1ccccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
DRD3 P35462 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
MAOA P21397 2/20 0.34

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
SCHEMBL11918703 0.80 SIGMAR1 (0.35) POLB
SCHEMBL13687357 0.78 DPP8 (0.33) POLBBRD4
SCHEMBL14030369 0.77 MEN1 (0.36) ALOX15HPGDALDH1A1SMN1; SMN2DRD3
SCHEMBL7136783 0.67 HPGD (0.58) HPGDALDH1A1SMN1; SMN2DRD3DRD2
SCHEMBL11918707 0.67 MAOA (0.38) HPGDALDH1A1SMN1; SMN2MAPTMAOA
SCHEMBL13981704 0.64 RXFP1 (0.39) ALOX15HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL12522861 0.64 KCNJ1 (0.34) HPGDALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL7134438 0.64 HPGD (0.46) HPGDALDH1A1SMN1; SMN2DRD3DRD2
SCHEMBL13185710 0.62 KMT2A (0.40) HPGDALDH1A1SMN1; SMN2DRD3ADRA2A
SCHEMBL11779444 0.62 TSHR (0.59) SMN1; SMN2BRD4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570414-B1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 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-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALOX15 2593/4885HPGD 646/4885ALDH1A1 3846/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALOX15 2593/4885HPGD 646/4885ALDH1A1 3846/4885

“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.