SCHEMBL19658458

SCHEMBL19658458

CC(=O)N[C@@H]1CCN(C(C)C)C[C@H]1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
HRH3 Q9Y5N1 7/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 2/20 0.33
ACKR3 P25106 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL19658499 1.00 DPP4 (0.36) DPP4DPP8HRH3ALDH1A1HSD11B1
SCHEMBL19652282 0.86 CHRNB4 (0.35) HRH3ALDH1A1HSD11B1ACKR3CYP2D6
SCHEMBL19652223 0.83 SSTR4 (0.38) HRH3ALDH1A1CYP2D6CA1CA2
SCHEMBL19652222 0.83 SSTR4 (0.38) HRH3ALDH1A1CYP2D6CA1CA2
SCHEMBL19658674 0.82 DRD4 (0.38) DPP4DPP8HRH3ALDH1A1CYP2D6
SCHEMBL19658468 0.82 DRD4 (0.38) DPP4DPP8HRH3ALDH1A1CYP2D6
SCHEMBL24567770 0.81 ALDH1A1 (0.38) DPP4DPP8HRH3ALDH1A1CYP2D6
SCHEMBL21564569 0.78 SSTR4 (0.44) DPP4DPP8CA1CA2CA12
SCHEMBL12560950 0.78 KDM1A (0.30)
SCHEMBL12258709 0.76 HRH3 (0.50) DPP4DPP8HRH3ALDH1A1CYP2D6

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 DPP4 3303/4885DPP8 3500/4885HRH3 131/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 DPP4 3303/4885DPP8 3500/4885HRH3 131/4885

“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.