SCHEMBL3943604

SCHEMBL3943604

Cc1[nH]ncc1CCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PDPK1 O15530 1/20 0.35
AKT2 P31751 2/20 0.35
MPO P05164 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ARG1 P05089 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
MTNR1A P48039 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
P2RX7 Q99572 1/20 0.32
IDO1 P14902 1/20 0.32
TSHR P16473 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL7312532 0.74 L3MBTL1 (0.47) MEN1ALDH1A1KMT2AMPONPSR1
SCHEMBL1319238 0.72 AKT2 (0.45) AKT2FPR3FPR2
SCHEMBL4664142 0.70 CAPN1 (0.35) CAPN1MEN1ALDH1A1KMT2ATP53
Hydrochloric Acid SCHEMBL2011616 0.69 AKT2 (0.47) MEN1ALDH1A1KMT2AAKT2ARG1
SCHEMBL23161493 0.68 IGF1R (0.37) KMT2AAKT2FPR3FPR2
SCHEMBL5484621 0.67
SCHEMBL10788672 0.67 SIRT3 (0.51) MTNR1ANAMPT
SCHEMBL3375523 0.66
SCHEMBL11157338 0.66 NPSR1 (0.61) CAPN1ALDH1A1MPOMTNR1ANPSR1
SCHEMBL3387108 0.66 PLAU (0.41) MPOMTNR1ANPSR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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 (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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 CAPN1 2195/4885MEN1 712/4885ALDH1A1 268/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 CAPN1 2195/4885MEN1 712/4885ALDH1A1 268/4885

“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.