SCHEMBL625629

SCHEMBL625629

CCOC(=O)C(C#N)C1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
XPO1 O14980 1/20 0.38
ELANE P08246 2/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.37

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
SCHEMBL15011384 0.86 NPSR1 (0.40) SLC6A4SLC6A3SLC6A2SMN1; SMN2ALDH1A1
SCHEMBL625932 0.85 LMNA (0.42) SLC6A4SLC6A3SLC6A2SMN1; SMN2ALDH1A1
SCHEMBL626372 0.85 HDAC3 (0.40) SLC6A4SLC6A3SLC6A2ALDH1A1ELANE
SCHEMBL3525887 0.85 OPRL1 (0.48) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL4410866 0.85 TACR1 (0.47) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL15010843 0.83 MAPT (0.39) CCR2SLC6A4SLC6A3SLC6A2SMN1; SMN2
SCHEMBL19031287 0.83 HDAC4 (0.43) SLC6A4SLC6A3SLC6A2SMN1; SMN2ALDH1A1
SCHEMBL625405 0.82 SMN1; SMN2 (0.45) SLC6A4SLC6A3SLC6A2SMN1; SMN2MAPT
SCHEMBL19357366 0.81 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19357459 0.80 SMN1; SMN2 (0.45) SLC6A4SLC6A3SLC6A2SMN1; SMN2ALDH1A1

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 CCR2 1169/4885SLC6A4 511/4885SLC6A3 717/4885

“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.