SCHEMBL14415972

SCHEMBL14415972

NCCc1cncn1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
HTR2A P28223 2/20 0.47
CYP2A6 P11509 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.41
ADORA2A P29274 1/20 0.41
CHRNA7 P36544 1/20 0.40
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37

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
SCHEMBL13470151 0.88 CYP11B1 (0.49) CYP11B1CYP11B2HTR2ACYP2A6SMN1; SMN2
SCHEMBL8971686 0.85 CYP11B1 (0.68) CYP11B1CYP11B2HTR2ACYP2A6SMN1; SMN2
SCHEMBL6599807 0.82 CYP11B1 (0.55) CYP11B1CYP11B2HTTIDO1ADORA2A
Hydrochloric Acid SCHEMBL6599039 0.81 CYP11B1 (0.50) CYP11B1CYP11B2HTTIDO1ADORA2A
SCHEMBL6180585 0.79 CYP11B1 (0.44) CYP11B1CYP11B2HTR2ACYP2A6SMN1; SMN2
SCHEMBL531371 0.76 CYP11B1 (0.73) CYP11B1CYP11B2CYP2A6IDO1MAOA
SCHEMBL14465623 0.76 CYP2C9 (0.35) CYP11B1CYP11B2ADORA2A
SCHEMBL8862697 0.75 CYP11B1 (0.51) CYP11B1CYP11B2IDO1SIGMAR1POLB
Trifluoroacetic Acid SCHEMBL5880541 0.75 CYP11B1 (0.58) CYP11B1CYP11B2IDO1FNTAFNTB
SCHEMBL6989844 0.75 TSHR (0.48) CYP11B1CYP11B2HTTIDO1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS CYP11B1 1991/4885CYP11B2 2663/4885HTR2A 4866/4885

“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.