SCHEMBL6071728

SCHEMBL6071728

Cc1c(C(=O)N2CCNCC2)nnn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
HPGD P15428 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KLKB1 P03952 1/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
HTR2A P28223 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL6071882 0.95 CYP19A1 (0.45) CYP19A1HPGDSIGMAR1CYP1A2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL8834496 0.91 CYP2C9 (0.41) CYP19A1HPGDSIGMAR1CYP1A2SMN1; SMN2
SCHEMBL5795346 0.86 KDM1A (0.48) HPGDSMN1; SMN2DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL8835060 0.83 CYP2C9 (0.47) HPGDDRD2DRD4DRD3HTR2A
Trifluoroacetic Acid SCHEMBL8835033 0.80 PKM (0.40) CYP19A1HPGDSIGMAR1CYP1A2MEN1
SCHEMBL795210 0.79 HPGD (0.68) CYP19A1HPGDCYP1A2SMN1; SMN2KLKB1
SCHEMBL17283083 0.77 PFKFB3 (0.58) CYP19A1HPGDCYP1A2SMN1; SMN2KLKB1
SCHEMBL15924211 0.76 HPGD (0.60) CYP19A1HPGDCYP1A2SMN1; SMN2KLKB1
SCHEMBL15936871 0.76 CYP19A1 (0.74) CYP19A1HPGDCYP1A2SMN1; SMN2
SCHEMBL21332831 0.74 HPGD (0.54) CYP19A1HPGDCYP1A2SMN1; SMN2KLKB1

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US claimed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CYP19A1 2652/4885HPGD 1291/4885SIGMAR1 576/4885

“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.