SCHEMBL13640921

SCHEMBL13640921

Cc1cc(C(=O)N2CC3(CCN(C4CCCCC(NC(=O)O[C@@H]5CCOC5)C4)CC3)c3cc(F)ccc32)nn1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 1/20 0.35
AXL P30530 3/20 0.34
MERTK Q12866 3/20 0.34
CTSS P25774 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK9 P50750 1/20 0.34
GFER P55789 1/20 0.33
GPR6 P46095 1/20 0.33
CSNK1D P48730 2/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2D6 P10635 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
GRM5 P41594 2/20 0.32
ADAM10 O14672 1/20 0.32

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
SCHEMBL13641053 1.00 SETD2 (0.35) SETD2AXLMERTKCTSSCCNT1
SCHEMBL13640799 0.90 AXL (0.36) SETD2AXLMERTKGFERGPR6
SCHEMBL13640803 0.88 FAAH (0.37) AXLMERTKGFERHTR2ACNR1
SCHEMBL13640778 0.88 GFER (0.36) SETD2AXLMERTKCTSSGFER
SCHEMBL13640718 0.87 CTSS (0.38) SETD2AXLMERTKCTSSCSNK1D
SCHEMBL13640801 0.87 CTSS (0.38) SETD2AXLMERTKCTSSCSNK1D
SCHEMBL13640841 0.86 CTSS (0.37) SETD2AXLMERTKCTSSCSNK1D
SCHEMBL13640767 0.86 CTSS (0.37) SETD2AXLMERTKCTSSCSNK1D
SCHEMBL13640770 0.86 IDO1 (0.37) SETD2AXLMERTKCTSSCSNK1D
SCHEMBL13640878 0.86 IDO1 (0.37) SETD2AXLMERTKCTSSCSNK1D

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 SETD2 3573/4885AXL 2648/4885MERTK 900/4885

“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.