SCHEMBL22801980

SCHEMBL22801980

CC(=O)c1ccc(N2CCNC[C@@H]2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
GFER P55789 1/20 0.46
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 4/20 0.44
OPRD1 P41143 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRB1 P08588 1/20 0.38
ADAM17 P78536 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL22801996 1.00 MAPT (0.46) MAPTLMNAGFERRAD52ALDH1A1
SCHEMBL1473008 0.88 USP2 (0.49) MAPTRAD52ALDH1A1OPRD1HTR2C
SCHEMBL28596325 0.88 USP2 (0.49) MAPTRAD52ALDH1A1OPRD1HTR2C
SCHEMBL3168784 0.87 RAD52 (0.44) MAPTLMNAGFERRAD52ALDH1A1
SCHEMBL5631357 0.87 RAD52 (0.44) RAD52ALDH1A1OPRD1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2925849 0.85 RAD52 (0.46) MAPTLMNAGFERRAD52ALDH1A1
SCHEMBL5742221 0.84 OPRD1 (0.46) MAPTRAD52ALDH1A1OPRD1NPC1
SCHEMBL18889530 0.82 HSD17B3 (0.43) MAPTRAD52ALDH1A1KMT2AMEN1
SCHEMBL28295939 0.81 MAPT (0.50) MAPTLMNAGFERRAD52ALDH1A1
SCHEMBL19617168 0.81 HTT (0.49) LMNARAD52ALDH1A1NPC1RAB9A

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 MAPT 2459/4885LMNA 445/4885GFER 4841/4885

“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.