SCHEMBL3551334

SCHEMBL3551334

CCN1C[C@H](C)N(c2ccccc2C)C[C@H]1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.44
MAPT P10636 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.35
ADRB1 P08588 1/20 0.34
CHRM1 P11229 1/20 0.34
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3558414 1.00 SLC6A9 (0.44) SLC6A9MAPTSIGMAR1ALDH1A1HPGD
SCHEMBL3556320 0.82 SLC6A9 (0.43) SLC6A9MAPTSIGMAR1ALDH1A1HPGD
SCHEMBL3436282 0.80 SLC6A9 (0.53) SLC6A9MAPTALDH1A1
SCHEMBL3436283 0.80 SLC6A9 (0.53) SLC6A9MAPTALDH1A1
SCHEMBL3547075 0.79 SLC6A9 (0.43) SLC6A9MAPTSIGMAR1CHRM1
SCHEMBL2641396 0.72 HTR1A (0.36)
SCHEMBL3554355 0.70 ALDH1A1 (0.46) MAPTALDH1A1HPGDSMN1; SMN2ELANE
SCHEMBL16307945 0.69 ALDH1A1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2ADRB1
SCHEMBL13999774 0.69 SIGMAR1 (0.42) MAPTSIGMAR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL25124632 0.68 CHRNB2 (0.46) ELANE

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SLC6A9 3516/4885MAPT 1330/4885SIGMAR1 1460/4885

“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.