SCHEMBL14192016

SCHEMBL14192016

CC[C@H](C(=O)NCc1cc(C2CC2)cnc1OC)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
CCR2 P41597 4/20 0.39
TACR1 P25103 1/20 0.39
CCR5 P51681 1/20 0.39
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CFTR P13569 2/20 0.37
LMNA P02545 1/20 0.37
PDE2A O00408 1/20 0.36
KCNQ2 O43526 1/20 0.36
SSTR5 P35346 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ACACB O00763 1/20 0.35
HDAC4 P56524 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR55 Q9Y2T6 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
SCHEMBL27679154 1.00 DGAT2 (0.39) DGAT2CCR2TACR1CCR5GAA
SCHEMBL14192018 0.91 DGAT2 (0.43) DGAT2GAACFTRPDE2AKCNQ2
SCHEMBL14192020 0.90 IDO1 (0.42) DGAT2GAACFTRLMNAPDE2A
SCHEMBL14192022 0.90 GAA (0.38) DGAT2GAACFTRPDE2ASSTR5
SCHEMBL27698243 0.90 IDO1 (0.42) DGAT2GAACFTRLMNAPDE2A
SCHEMBL28769271 0.90 GAA (0.38) DGAT2GAACFTRPDE2ASSTR5
SCHEMBL14192012 0.90 GAA (0.49) GAACFTRLMNAALDH1A1
SCHEMBL27679152 0.90 DGAT2 (0.41) DGAT2GAACFTRKCNQ2SSTR5
SCHEMBL14192014 0.90 DGAT2 (0.41) DGAT2GAACFTRKCNQ2SSTR5
SCHEMBL14192015 0.88 TRPV1 (0.43) DGAT2CNR1CNR2TRPV1

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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US disclosed
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 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 (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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 DGAT2 3284/4885CCR2 2931/4885TACR1 4133/4885

“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.