SCHEMBL23914890

SCHEMBL23914890

COC(=O)Cc1nn(CC2CCCN(C)C2)c(=O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.55
ADRA1A P35348 11/20 0.55
ADRA1B P35368 9/20 0.55
HRH3 Q9Y5N1 6/20 0.53
GPR39 O43194 1/20 0.52
RECQL P46063 1/20 0.48
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
ALPL P05186 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL23915614 0.89 GPR39 (0.62) HRH1ADRA1AADRA1BHRH3GPR39
SCHEMBL23915438 0.89 MAPT (0.58) HRH1ADRA1AADRA1BHRH3GPR39
SCHEMBL23914889 0.87 RECQL (0.56) HRH1ADRA1AADRA1BHRH3GPR39
SCHEMBL23913179 0.85 HRH1 (0.47) HRH1ADRA1AADRA1BHRH3GPR39
SCHEMBL23966559 0.82 GPR39 (0.50) HRH1ADRA1AADRA1BHRH3GPR39
SCHEMBL23915513 0.81 NPC1 (0.46) HRH1ADRA1AADRA1BHRH3GPR39
SCHEMBL23966558 0.80 RECQL (0.57) HRH1GPR39RECQLSMN1; SMN2ALDH1A1
SCHEMBL1998943 0.79 RECQL (0.50) HRH1ADRA1AADRA1BRECQLSMN1; SMN2
SCHEMBL23915512 0.78 TSHR (0.52) HRH1GPR39RECQLALDH1A1LMNA
SCHEMBL23915623 0.78 RECQL (0.47) HRH1ADRA1AADRA1BGPR39RECQL

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 HRH1 385/4885ADRA1A 37/4885ADRA1B 44/4885

“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.