SCHEMBL1696871

SCHEMBL1696871

CN1C2CCC1(c1cc(N)nc3ccccc13)CC(O)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.39
BACE1 P56817 2/20 0.38
BCHE P06276 2/20 0.34
ACHE P22303 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL7806789 0.65 SLC6A3 (0.44) CYP1A2CYP2C9KCNH2
SCHEMBL8193438 0.64
SCHEMBL4979111 0.61 OPRD1 (0.37)
SCHEMBL7265277 0.61 LMNA (0.39)
SCHEMBL17433855 0.61 MAPT (0.45) NCF1BACE1ACHETSHR
SCHEMBL17433982 0.60 BACE1 (0.44) NCF1BACE1TSHRALDH1A1
SCHEMBL17434303 0.60 TSHR (0.51) NCF1TSHRALDH1A1
SCHEMBL17433817 0.60 TSHR (0.51) NCF1TSHRALDH1A1
SCHEMBL17433814 0.60 TSHR (0.51) NCF1TSHRALDH1A1
SCHEMBL26695128 0.58 BACE1 (0.61) NCF1BACE1ACHECYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095591-B2 Pharmaceutical composition for use in the treatment of glaucoma INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-08-04 US disclosed
US-20130172370-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF GLAUCOMA VT IDIRECT ,INC. (US) 2013-07-04 US disclosed
EP-2585071-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF GLAUCOMA INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2013-05-01 EP disclosed
WO-2012000904-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF GLAUCOMA INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-01-05 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-20130172370-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF GLAUCOMA CXCR3, CCR5, CCR7 NCF1 2928/4885BACE1 3459/4885BCHE 2722/4885

“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.