SCHEMBL2269182

SCHEMBL2269182

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
ADRB1 P08588 1/20 0.44
TACR1 P25103 8/20 0.43
SLC6A4 P31645 5/20 0.43
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRL1 P41146 1/20 0.38
HTR2C P28335 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
OPRM1 P35372 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL2269033 0.90 S1PR2 (0.41) TSHRDRD2CYP3A4CYP2D6ADRB1
SCHEMBL186127 0.83 OPRL1 (0.56) DRD2TACR1OPRL1OPRM1
SCHEMBL31322451 0.83 OPRL1 (0.56) DRD2TACR1OPRL1OPRM1
Hydrochloric Acid SCHEMBL4818869 0.82 OPRL1 (0.54) DRD2TACR1OPRL1HTR2COPRM1
SCHEMBL2263226 0.82 DRD2 (0.40) TSHRDRD2CYP3A4CYP2D6TACR1
SCHEMBL653874 0.81 DRD2 (0.59) DRD2TACR1OPRL1HTR2COPRM1
SCHEMBL18726215 0.81 OPRL1 (0.43) TACR1SLC6A4MEN1KMT2AOPRL1
Hydrochloric Acid SCHEMBL23411250 0.80 OPRL1 (0.53) DRD2TACR1MEN1KMT2AOPRL1
Hydrochloric Acid SCHEMBL23578391 0.80 DRD2 (0.58) DRD2TACR1OPRL1HTR2COPRM1
SCHEMBL9283860 0.75 DRD2 (0.51) DRD2TACR1OPRL1HTR2COPRM1

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 9 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
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO 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 TSHR 4692/4885DRD2 3805/4885CYP3A4 22/4885

“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.