SCHEMBL2317846

SCHEMBL2317846

CC(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
TSHR P16473 3/20 0.71
POLB P06746 2/20 0.71
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2360127 0.95 ALDH1A1 (0.65) ALDH1A1TSHRPOLBRAB9AKDM4E
SCHEMBL2317080 0.82 RAB9A (0.56) ALDH1A1TSHRPOLBRAB9AGAA
SCHEMBL2320292 0.82 ALDH1A1 (0.51) ALDH1A1TSHRPOLBKDM4EMAPT
SCHEMBL14995363 0.82 TSHR (1.00) ALDH1A1TSHRPOLBRAB9AMAPT
SCHEMBL2317227 0.81 ALDH1A1 (0.57) ALDH1A1TSHRPOLBKDM4EMAPT
SCHEMBL2318727 0.81 POLB (0.57) ALDH1A1TSHRPOLBRAB9AGAA
SCHEMBL2418857 0.81 POLB (0.57) ALDH1A1TSHRPOLBRAB9AGAA
SCHEMBL2417106 0.81 POLB (0.57) ALDH1A1TSHRPOLBRAB9AGAA
SCHEMBL2316385 0.81 POLB (0.64) ALDH1A1TSHRPOLBRAB9AGAA
SCHEMBL2418895 0.81 POLB (0.64) ALDH1A1TSHRPOLBRAB9AGAA

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 ALDH1A1 3024/4885TSHR 209/4885POLB 4553/4885

“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.