SCHEMBL3597579

SCHEMBL3597579

Cc1cccc(N2CN3CCNCC3C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.48
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 3/20 0.42
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
Hydrochloric Acid SCHEMBL3603537 0.99 ADRB1 (0.47) ADRB1ALDH1A1ALOX5KMT2AHSD11B1
Hydrochloric Acid SCHEMBL3599255 0.85 HTR2C (0.40) ALDH1A1ALOX5
Hydrochloric Acid SCHEMBL3604632 0.85 DDB1 (0.44) ADRB1
Hydrochloric Acid SCHEMBL3605372 0.85 HTR2C (0.48) ADRB1ALDH1A1ALOX5KMT2A
SCHEMBL3601347 0.84 ALOX5 (0.43) ALOX5
Hydrochloric Acid SCHEMBL3604157 0.84 ADRB1 (0.49) ADRB1ALDH1A1ALOX5KMT2A
Hydrochloric Acid SCHEMBL3601870 0.84 ATM (0.41) ALDH1A1ALOX5KMT2AHSD11B1L3MBTL1
Hydrochloric Acid SCHEMBL3600853 0.84 OPRM1 (0.41) ALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL3611639 0.83 ALOX5 (0.44) ALDH1A1ALOX5
Hydrochloric Acid SCHEMBL3599890 0.83 GRM2 (0.40) HSD11B1

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-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A ADRB1 224/4885ALDH1A1 1162/4885ALOX5 825/4885

“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.