SCHEMBL13640930

SCHEMBL13640930

CCCNC(=O)NC1CCCCC(N2CCC3(CC2)COc2ccc(F)cc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNA7 P36544 1/20 0.38
SETD2 Q9BYW2 4/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR3 P51677 1/20 0.35
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
OPRL1 P41146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACKR3 P25106 1/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 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
SCHEMBL13640891 0.93 CHRNA7 (0.39) CHRNA7SETD2MTNR1AMTNR1BPOLB
SCHEMBL13640947 0.87 CHRNA7 (0.41) CHRNA7SETD2POLBNSD2CYP2C8
SCHEMBL13640994 0.87 CHRNA7 (0.38) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640795 0.86 CHRNA7 (0.39) ALDH1A1CHRNA7SETD2POLBMEN1
SCHEMBL13640837 0.86 CHRNA7 (0.39) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640793 0.85 CHRNA7 (0.37) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640881 0.84 CHRNA7 (0.38) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640995 0.84 CHRNA7 (0.41) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640848 0.84 CHRNA7 (0.40) ALDH1A1CHRNA7SETD2KMT2A
SCHEMBL13640831 0.84 CHRNA7 (0.38) EPHX1CHRNA7SETD2POLBNSD2

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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 EPHX1 889/4885KDM4E 3467/4885ALDH1A1 1353/4885

“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.