SCHEMBL29339017

SCHEMBL29339017

c1nc2ccc(CN3CCNCC3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
DRD4 P21917 4/20 0.56
TMEM97 Q5BJF2 3/20 0.56
DRD3 P35462 2/20 0.56
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
DRD2 P14416 2/20 0.48
CXCR4 P61073 5/20 0.47
MEN1 O00255 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CCR5 P51681 1/20 0.46
TYMS P04818 1/20 0.46

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
SCHEMBL18726569 0.87 DRD4 (0.57) SIGMAR1DRD4TMEM97DRD3DRD2
SCHEMBL19871856 0.84 DRD4 (0.55) SIGMAR1DRD4TMEM97DRD3DRD2
SCHEMBL29720511 0.84 DRD4 (0.55) SIGMAR1DRD4TMEM97DRD3PIK3CA
SCHEMBL19869641 0.81 DRD4 (0.55) SIGMAR1DRD4TMEM97DRD3DRD2
SCHEMBL31043120 0.77 CXCR4 (0.54) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL19567487 0.76 DRD4 (0.47) SIGMAR1DRD4TMEM97DRD3DRD2
SCHEMBL29363248 0.75 DRD2 (0.61) DRD2TDP1HRH3
SCHEMBL13974817 0.75 TNIK (0.52) SIGMAR1DRD4TMEM97DRD3DRD2
SCHEMBL29339022 0.74 FGFR1 (0.56) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL22001349 0.74 IP6K1 (0.49) SIGMAR1PIK3CADRD2HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2024-07-18 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-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS SLC40A1, HAMP, TFRC SIGMAR1 2688/4885DRD4 4388/4885TMEM97 721/4885

“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.