SCHEMBL21294772

SCHEMBL21294772

O=C(O)N[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1NC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.46
HTR2C P28335 2/20 0.44
EPHX2 P34913 1/20 0.43
MAOB P27338 3/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
GUSB P08236 1/20 0.39

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
SCHEMBL21306636 0.86 KDM1A (0.48) CCR2EPHX2MAOBKDM1AMAOA
SCHEMBL29481991 0.86 KDM1A (0.48) CCR2EPHX2MAOBKDM1AMAOA
SCHEMBL21294783 0.85 HTR2C (0.47) CCR2HTR2CEPHX2TAS1R3TAS1R1
SCHEMBL21294655 0.84 HTR2C (0.48) CCR2HTR2CEPHX2MAOBKDM1A
SCHEMBL23140977 0.83 HTR2C (0.46) HTR2CEPHX2MAOBKDM1AMAOA
SCHEMBL21294862 0.81 SCN9A (0.51) CCR2HTR2CTAS1R3TAS1R1TAS1R2
SCHEMBL21294747 0.80 SCN9A (0.51) CCR2HTR2CEPHX2
SCHEMBL21294826 0.79 SCN9A (0.55) CCR2HTR2C
SCHEMBL21294786 0.79 SCN9A (0.50) HTR2C
SCHEMBL28495431 0.79 SCN9A (0.44) HTR2CGUSB

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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 (2 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 CCR2 1546/4885HTR2C 2475/4885EPHX2 1559/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 CCR2 2153/4885HTR2C 823/4885EPHX2 1892/4885

“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.