SCHEMBL7914036

SCHEMBL7914036

CCC(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 5/20 0.45
TACR3 P29371 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PRKAA2 P54646 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
DRD2 P14416 1/20 0.39
PKLR P30613 1/20 0.39
HSD11B1 P28845 1/20 0.38
HTR2B P41595 1/20 0.38
HCRTR1 O43613 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7914034 0.88 SLC6A7 (0.47) SLC6A7TACR3L3MBTL1PRKAA2MEN1
SCHEMBL7910656 0.85 CYP3A4 (0.42) SLC6A7MAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL378802 0.84 SLC6A9 (0.47) SLC6A7TACR3MEN1KMT2ATSHR
SCHEMBL378790 0.80 TACR1 (0.47) SLC6A7PRKAA2MEN1KMT2AMAPK1
SCHEMBL7910338 0.80 TACR1 (0.47) SLC6A7PRKAA2MEN1KMT2AMAPK1
SCHEMBL7900391 0.78 TACR1 (0.43) SLC6A7MEN1KMT2AMAPTDRD2
SCHEMBL13092423 0.78 SLC6A7 (0.50) SLC6A7TACR3L3MBTL1PRKAA2MEN1
SCHEMBL7908350 0.77 HSD11B1 (0.46) SLC6A7PRKAA2MEN1KMT2ADRD2
SCHEMBL7910160 0.77 KMT2A (0.48) SLC6A7MEN1KMT2AMAPK1TSHR
SCHEMBL13092254 0.76 KIT (0.44) SLC6A7MEN1KMT2AALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 WO 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 SLC6A7 105/4885TACR3 41/4885L3MBTL1 4603/4885

“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.