SCHEMBL13640905

SCHEMBL13640905

CC(=O)N1CC2(CCN(C3CCCCC(NC(=O)OC4CCC4)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
SETD2 Q9BYW2 7/20 0.39
NSD2 O96028 1/20 0.39
CYP2C8 P10632 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1B P28222 1/20 0.39
AXL P30530 3/20 0.37
MERTK Q12866 3/20 0.37
CSNK1D P48730 2/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
CYP2D6 P10635 1/20 0.36
AKT1 P31749 1/20 0.36
CTSS P25774 1/20 0.35
EPHX1 P07099 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
SCHEMBL13640801 0.93 CTSS (0.38) NOTUMSETD2NSD2CYP2C8DRD2
SCHEMBL13640718 0.93 CTSS (0.38) NOTUMSETD2NSD2CYP2C8DRD2
SCHEMBL13641037 0.91 AXL (0.37) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13640747 0.89 CTSS (0.39) NOTUMSETD2NSD2CYP2C8DRD2
SCHEMBL13641030 0.89 NOTUM (0.39) NOTUMSETD2NSD2CYP2C8DRD2
SCHEMBL13640769 0.88 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13640830 0.87 SETD2 (0.37) SETD2AXLMERTKCSNK1DFGFR1
SCHEMBL13640735 0.87 SETD2 (0.37) NOTUMSETD2NSD2CYP2C8DRD2
SCHEMBL13640750 0.87 SETD2 (0.41) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13641093 0.86 MEN1 (0.38) SETD2NSD2CYP2C8DRD2HTR1B

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 NOTUM 2979/4885SETD2 3573/4885NSD2 3039/4885

“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.