SCHEMBL13640900

SCHEMBL13640900

O=C(NC1CCCCC(N2CCC3(CC2)COc2ccc(F)cc23)C1)OC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
SETD2 Q9BYW2 4/20 0.38
EPHX1 P07099 1/20 0.36
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
POLB P06746 1/20 0.35
ACKR3 P25106 9/20 0.35
KCNH2 Q12809 3/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL13640831 0.99 CHRNA7 (0.38) CHRNA7SETD2EPHX1NSD2CYP2C8
SCHEMBL13640823 0.93 HRH3 (0.39) CHRNA7SETD2ACKR3KCNH2HRH3
SCHEMBL13640928 0.93 HRH3 (0.39) CHRNA7SETD2ACKR3KCNH2HRH3
SCHEMBL13640837 0.91 CHRNA7 (0.39) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640995 0.89 CHRNA7 (0.41) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640848 0.88 CHRNA7 (0.40) CHRNA7SETD2
SCHEMBL13640795 0.88 CHRNA7 (0.39) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640844 0.86 CHRNA7 (0.38) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640994 0.86 CHRNA7 (0.38) CHRNA7SETD2NSD2CYP2C8DRD2
SCHEMBL13640876 0.86 CHRNA7 (0.39) CHRNA7SETD2NSD2CYP2C8DRD2

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 3573/4885EPHX1 889/4885

“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.