SCHEMBL5376068

SCHEMBL5376068

O=C(O)N1CCN(c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
AKR1C3 P42330 3/20 0.56
HRH3 Q9Y5N1 5/20 0.56
HPGD P15428 1/20 0.55
HTT P42858 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR7 P34969 2/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
DRD4 P21917 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL21802521 0.94 AKR1C3 (0.59) SMN1; SMN2AKR1C3HRH3HPGDHTR7
SCHEMBL3013949 0.85 SMN1; SMN2 (0.59) SMN1; SMN2HRH3HPGDHTTHIF1A
SCHEMBL21802556 0.85 HTR7 (0.53) HRH3HTR7DRD4
SCHEMBL27783861 0.84 SMN1; SMN2 (0.58) SMN1; SMN2AKR1C3HRH3HPGDHTT
SCHEMBL1450838 0.84 HRH3 (0.78) SMN1; SMN2HRH3HPGDHIF1AEPAS1
SCHEMBL24462388 0.80 HRH3 (0.71) SMN1; SMN2AKR1C3HRH3HPGDALDH1A1
SCHEMBL1722245 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HRH3HTTCYP2C19ALDH1A1
SCHEMBL21802554 0.80 SMN1; SMN2 (0.57) SMN1; SMN2AKR1C3CYP2C9CYP2C19HTR7
SCHEMBL21802520 0.80 AKR1C3 (0.56) SMN1; SMN2AKR1C3HRH3HPGDHTT
SCHEMBL29266144 0.80 CHKA (0.64) HRH3HTR7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 SMN1; SMN2 4550/4885AKR1C3 397/4885HRH3 1891/4885

“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.