SCHEMBL16248221

SCHEMBL16248221

CC(C)c1cnc(N2CCCC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
OPRK1 P41145 3/20 0.43
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.34
HRH4 Q9H3N8 2/20 0.33

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
SCHEMBL16248215 0.98 OPRK1 (0.45) CRHR1OPRK1TSHRALDH1A1MAPK1
SCHEMBL16248213 0.97 OPRK1 (0.43) CRHR1OPRK1TSHRALDH1A1MAPK1
SCHEMBL14349670 0.81 DHODH (0.40) CRHR1ALDH1A1MAPK1HTTLMNA
SCHEMBL17693905 0.80 ALDH1A1 (0.38) CRHR1ALDH1A1MAPK1HTTEGLN1
SCHEMBL14349215 0.80 DHODH (0.41) CRHR1ALDH1A1MAPK1HTTMAPT
SCHEMBL16248222 0.80 P2RY12 (0.40) HTTLMNAMAPTMEN1KMT2A
SCHEMBL14349216 0.79 P2RY12 (0.39) CRHR1ALDH1A1MAPK1HTTLMNA
SCHEMBL17703488 0.77 OPRK1 (0.64) OPRK1TSHRALDH1A1MAPK1HTT
SCHEMBL14349213 0.76 ALDH1A1 (0.42) TSHRALDH1A1MAPK1HTTLMNA
SCHEMBL17703510 0.76 OPRK1 (0.67) OPRK1TSHRALDH1A1MAPK1HTT

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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 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 (2 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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 CRHR1 4145/4885OPRK1 4003/4885TSHR 3875/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B CRHR1 4376/4885OPRK1 4121/4885TSHR 4024/4885

“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.