SCHEMBL2269033

SCHEMBL2269033

OC1(c2cc(F)cc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.39
OPRL1 P41146 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TACR1 P25103 6/20 0.37
ADRB1 P08588 1/20 0.37
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL2269182 0.90 TSHR (0.46) DRD2TSHROPRL1CYP3A4CYP2D6
SCHEMBL373752 0.84 DRD2 (0.50) DRD2OPRL1CYP2D6OPRM1
Hydrochloric Acid SCHEMBL973810 0.83 DRD2 (0.48) DRD2OPRL1CYP2D6SLC6A4OPRM1
SCHEMBL186127 0.77 OPRL1 (0.56) DRD2OPRL1TACR1OPRM1
SCHEMBL31322451 0.77 OPRL1 (0.56) DRD2OPRL1TACR1OPRM1
SCHEMBL12369416 0.77 TSHR (0.37) TSHRCYP3A4CYP2D6TACR1ADRB1
SCHEMBL2273078 0.77 OPRM1 (0.50) DRD2OPRL1TACR1SLC6A4OPRM1
SCHEMBL2270541 0.77 DRD2 (0.56) DRD2TACR1SLC6A4
SCHEMBL2263226 0.76 DRD2 (0.40) DRD2TSHROPRL1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4818869 0.76 OPRL1 (0.54) DRD2OPRL1TACR1OPRM1

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 S1PR2 4307/4885DRD2 3805/4885TSHR 4692/4885

“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.