SCHEMBL14490656

SCHEMBL14490656

C[C@@H]1Cc2cnccc2C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNA7 P36544 1/20 0.37
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
GBA1 P04062 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL14348196 1.00 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL13291916 0.86 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL24065105 0.77 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL18183841 0.77 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL14490395 0.77 SIGMAR1 (0.33) SIGMAR1CHRNB2CHRNA4
SCHEMBL14490535 0.77 SIGMAR1 (0.33) SIGMAR1CHRNB2CHRNA4
SCHEMBL14490471 0.77 SIGMAR1 (0.33) SIGMAR1CHRNB2CHRNA4
SCHEMBL14490418 0.77 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL5021324 0.77 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL14490420 0.77 CHRNB2 (0.41) SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD SIGMAR1 2287/4885CHRNB2 4792/4885CHRNA4 4188/4885

“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.