SCHEMBL2317080

SCHEMBL2317080

CC(=O)N1CCC(CC(=O)Nc2ccc(Br)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 3/20 0.53
POLB P06746 4/20 0.53
DEGS1 O15121 3/20 0.51
USP30 Q70CQ3 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL31241006 0.86 RAB9A (0.68) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL2320718 0.85 DEGS1 (0.43) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL2315751 0.85 HDAC1 (0.45) RAB9AALDH1A1NPC1SMN1; SMN2DEGS1
SCHEMBL2318170 0.84 ALDH1A1 (0.55) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL12283692 0.84 USP30 (0.55) DEGS1USP30MEN1KMT2A
SCHEMBL2318039 0.83 MAPK8 (0.47) RAB9ANPC1SMN1; SMN2TSHRUSP30
SCHEMBL31241140 0.83 RAB9A (0.73) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL2317846 0.82 ALDH1A1 (0.71) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL2317904 0.81 DEGS1 (0.53) DEGS1USP30
SCHEMBL2320672 0.81 WNT3A (0.53) DEGS1USP30

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
CN-102272120-A Biologically active amides 2011-12-07 CN disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R RAB9A 3184/4885ALDH1A1 3024/4885NPC1 1717/4885

“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.