SCHEMBL22802008

SCHEMBL22802008

CC(=O)c1ccc(N2CCN[C@@H](C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.43
ATM Q13315 1/20 0.43
BCL2A1 Q16548 2/20 0.42
HDAC1 Q13547 1/20 0.42
ADRB1 P08588 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KHK P50053 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 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
SCHEMBL3770301 1.00 NPC1 (0.47) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL3770299 1.00 NPC1 (0.47) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL1922775 0.88 USP2 (0.58) MAPTKMT2AALDH1A1MEN1USP2
SCHEMBL8183599 0.86 ACVR1 (0.48) MAPTALDH1A1USP2BCL2A1HDAC1
SCHEMBL6503520 0.85 NPC1 (0.45) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL21285470 0.84 MAPT (0.42) MAPTALDH1A1USP2BCL2A1HDAC1
SCHEMBL1923959 0.84 ALDH1A1 (0.54) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL8513375 0.84 ALDH1A1 (0.64) NPC1RAB9AMAPTALDH1A1USP2
SCHEMBL31710013 0.84 MAPT (0.43) MAPTUSP2BCL2A1HDAC1ADRB1
SCHEMBL31709952 0.84 MAPT (0.43) MAPTUSP2BCL2A1HDAC1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 NPC1 533/4885RAB9A 685/4885MAPT 2459/4885

“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.