SCHEMBL13640778

SCHEMBL13640778

Cc1cc(C(=O)N2CC3(CCN(C4CCCCC(NC(=O)OC(C)C)C4)CC3)c3cc(F)ccc32)nn1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
CTSS P25774 2/20 0.35
AXL P30530 3/20 0.34
MERTK Q12866 3/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
GPR6 P46095 1/20 0.33
ACKR3 P25106 1/20 0.33
CSNK1D P48730 2/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
SETD2 Q9BYW2 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2D6 P10635 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL13640799 0.93 AXL (0.36) GFERAXLMERTKCNR1CNR2
SCHEMBL13640803 0.91 FAAH (0.37) GFERAXLMERTKCNR1CNR2
SCHEMBL13640921 0.88 SETD2 (0.35) GFERCTSSAXLMERTKCNR1
SCHEMBL13641053 0.88 SETD2 (0.35) GFERCTSSAXLMERTKCNR1
SCHEMBL13640747 0.86 CTSS (0.39) CTSSAXLMERTKSETD2
SCHEMBL13640872 0.86 CTSS (0.39) CTSSAXLMERTKACKR3SETD2
SCHEMBL13640999 0.85 CTSS (0.40) CTSSAXLMERTKACKR3SETD2
SCHEMBL13640877 0.85 CTSS (0.38) CTSSAXLMERTKSETD2
SCHEMBL12084082 0.84 AXL (0.36) GFERAXLMERTKGPR6CSNK1D
SCHEMBL13643993 0.84 GFER (0.33) GFERCTSSAXLMERTKGPR6

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 GFER 1173/4885CTSS 3839/4885AXL 2648/4885

“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.