SCHEMBL647945

SCHEMBL647945

O=C(O)C1(C(Cl)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
TACR1 P25103 2/20 0.39
HTR2C P28335 2/20 0.38
APP P05067 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
THRB P10828 1/20 0.37
SRD5A2 P31213 1/20 0.37
CYP1A2 P05177 1/20 0.36
GSK3B P49841 1/20 0.36
MAOB P27338 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL645638 0.80 OPRM1 (0.46) MMP2MMP3MMP9MMP8MMP13
SCHEMBL5012787 0.72 MAPT (0.51) MMP13TACR1OPRD1OPRK1P2RY14
SCHEMBL5749625 0.70 DGAT1 (0.39) TACR1
Hydrochloric Acid SCHEMBL1292454 0.69 DGAT1 (0.38)
SCHEMBL24484742 0.69 CES2 (0.47) MMP2MMP3MMP9MMP8MMP13
SCHEMBL653874 0.67 DRD2 (0.59) MMP2MMP3MMP9MMP8MMP13
SCHEMBL26081038 0.67 TACR1 (0.47) MMP2MMP3MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL8347120 0.67 TACR1 (0.46) MMP2MMP3MMP9MMP8MMP13
Pyrrolidine SCHEMBL17431709 0.66 SRD5A2 (0.65) CES2CES1SRD5A2MAOBP2RY14
Hydrochloric Acid SCHEMBL23578391 0.66 DRD2 (0.58) MMP2MMP3MMP9MMP8MMP13

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-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 MMP2 3342/4885MMP3 4724/4885MMP9 2395/4885

“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.