SCHEMBL13092571

SCHEMBL13092571

Cc1cccc(N2CCN(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccccc4)(c4ccccc4)CC3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
P2RY12 Q9H244 2/20 0.42
LMNA P02545 1/20 0.42
ACACB O00763 1/20 0.42
GAA P10253 1/20 0.41
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL397969 0.91 ATM (0.55) ATMMEN1KMT2AGFERALDH1A1
SCHEMBL13092501 0.89 ATM (0.48) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL13092555 0.84 CCR1 (0.48) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL379204 0.84 NPSR1 (0.50) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL13092592 0.84 ATM (0.45) ATMGFERTSHRALOX15LMNA
SCHEMBL13092493 0.83 MAPT (0.48) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL3102527 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13092574 0.83 AKR1C3 (0.49) ATMMEN1KMT2AALDH1A1TSHR
SCHEMBL378278 0.82 NPSR1 (0.50) ATMKMT2AALDH1A1TSHRALOX15
SCHEMBL13092512 0.82 PIN1 (0.47) ATMMEN1KMT2AALDH1A1MAPT

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 4 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

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 ATM 2243/4885MEN1 4869/4885KMT2A 1488/4885

“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.