SCHEMBL11914735

SCHEMBL11914735

CC1=NCc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.39
HTR5A P47898 4/20 0.38
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
ADRA2A P08913 5/20 0.33
ADRA2B P18089 5/20 0.33
ADRA2C P18825 5/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL11736302 0.71 TSHR (0.48) TSHRCYP1A2HTR5ADRD3DRD2
SCHEMBL22244031 0.71 LOX (0.36) TSHRCYP1A2HTR5ADRD3DRD2
SCHEMBL12427969 0.71 HTR5A (0.38) TSHRCYP1A2HTR5ADRD3DRD2
SCHEMBL22047902 0.68 CYP1A2 (0.41) TSHRCYP1A2HTR5ADRD3DRD2
SCHEMBL12567719 0.68 CHRNB4 (0.41) TSHRCYP1A2HTR5AADRA2AADRA2B
SCHEMBL1790495 0.68 CYP1A2 (0.50) TSHRCYP1A2DRD3DRD2DRD1
SCHEMBL27538463 0.67 DRD1 (0.46) CYP1A2DRD3DRD2DRD1DRD4
SCHEMBL13347978 0.67 ALOX15 (0.41) CYP1A2DRD3DRD2DRD1DRD4
SCHEMBL14817733 0.67 ALOX15 (0.41) TSHRHTR5AADRA2AADRA2BADRA2C
SCHEMBL8170948 0.67 TSHR (0.54) TSHRHTR5AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 US disclosed
US-8232291-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 US disclosed
US-7910601-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 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 (4 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-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TSHR 45/4885CYP1A2 767/4885HTR5A 545/4885
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TSHR 45/4885CYP1A2 767/4885HTR5A 545/4885
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT TSHR 846/4885CYP1A2 235/4885HTR5A 58/4885
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, NPY1R TSHR 45/4885CYP1A2 767/4885HTR5A 545/4885

“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.