SCHEMBL2272271

SCHEMBL2272271

Cc1ccc(F)cc1C1(O)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
HDAC4 P56524 2/20 0.46
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
DPP4 P27487 1/20 0.40
HTR2C P28335 3/20 0.37
OPRM1 P35372 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
HTR2A P28223 1/20 0.34
ABL1 P00519 1/20 0.33
KDM1A O60341 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 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
SCHEMBL1266110 0.83 SIGMAR1 (0.46) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL1513381 0.80 DRD2 (0.46) SIGMAR1CCNT1CDK9DRD2DPP4
SCHEMBL2270363 0.80 SIGMAR1 (0.41) SIGMAR1DRD2HTR2CHTR2A
SCHEMBL6178145 0.80 SIGMAR1 (0.68) SIGMAR1CCNT1CDK9DRD2DPP4
SCHEMBL1513363 0.79 SIGMAR1 (0.46) SIGMAR1CCNT1CDK9DRD2DPP4
SCHEMBL11826644 0.79 HDAC4 (0.44) SIGMAR1HDAC4DRD2DRD4DRD3
SCHEMBL11825300 0.79 HDAC4 (0.48) HDAC4DRD2DRD4DRD3KDM1A
SCHEMBL1513557 0.77 DRD2 (0.46) SIGMAR1CCNT1CDK9DRD2DPP4
SCHEMBL16638976 0.76 SIGMAR1 (0.41) SIGMAR1CCNT1CDK9DRD2DPP4
SCHEMBL2270935 0.75 SIGMAR1 (0.62) SIGMAR1HDAC4DRD2HTR2COPRM1

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 8 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-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US 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 SIGMAR1 3731/4885HDAC4 218/4885CCNT1 1007/4885

“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.