SCHEMBL13640891

SCHEMBL13640891

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
SETD2 Q9BYW2 4/20 0.37
POLB P06746 2/20 0.37
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRL1 P41146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ACKR3 P25106 2/20 0.35
DRD2 P14416 2/20 0.34
NSD2 O96028 1/20 0.34
CYP2C8 P10632 1/20 0.34
HTR1B P28222 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL13640930 0.93 EPHX1 (0.39) CHRNA7SETD2POLBMEN1KMT2A
SCHEMBL13640947 0.89 CHRNA7 (0.41) CHRNA7SETD2POLBRAB9ANPC1
SCHEMBL13640795 0.88 CHRNA7 (0.39) CHRNA7SETD2POLBAKR1B1MEN1
SCHEMBL13640837 0.88 CHRNA7 (0.39) CHRNA7SETD2AKR1B1ACKR3DRD2
SCHEMBL13640994 0.86 CHRNA7 (0.38) CHRNA7SETD2AKR1B1ACKR3DRD2
SCHEMBL13640881 0.86 CHRNA7 (0.38) CHRNA7SETD2AKR1B1ACKR3DRD2
SCHEMBL13640995 0.85 CHRNA7 (0.41) CHRNA7SETD2AKR1B1OPRL1ACKR3
SCHEMBL13640793 0.85 CHRNA7 (0.37) CHRNA7SETD2ACKR3DRD2NSD2
SCHEMBL13640848 0.85 CHRNA7 (0.40) CHRNA7SETD2KMT2A
SCHEMBL13640831 0.85 CHRNA7 (0.38) CHRNA7SETD2POLBACKR3DRD2

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 CHRNA7 23/4885SETD2 3573/4885POLB 4708/4885

“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.