SCHEMBL1735450

SCHEMBL1735450

CCC1CC(=O)c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TDP2 O95551 1/20 0.35

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
SCHEMBL1735446 1.00 AR (0.43) ARBRD4CREBBPPARP1PARP10
SCHEMBL31193443 1.00 AR (0.43) ARBRD4CREBBPPARP1PARP10
SCHEMBL31193465 1.00 AR (0.43) ARBRD4CREBBPPARP1PARP10
SCHEMBL12156896 0.83 AR (0.38) ARBRD4CREBBPPARP1PARP10
SCHEMBL13960213 0.81 ATM (0.37) PARP1PARP10KMT2AHTR2AHTR2C
SCHEMBL12156816 0.81 AR (0.44) ARBRD4CREBBPPARP1PARP10
SCHEMBL14401750 0.81 AR (0.44) ARBRD4CREBBPPARP1PARP10
SCHEMBL13478819 0.81 AR (0.37) ARBRD4CREBBPPARP1PARP10
SCHEMBL1735758 0.80 AR (0.36) ARBRD4CREBBPPARP1PARP10
SCHEMBL12066676 0.80 AR (0.36) ARBRD4CREBBPPARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US claimed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP claimed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 WO claimed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US claimed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP claimed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO claimed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP disclosed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP disclosed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 WO disclosed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 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-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 AR 3705/4885BRD4 210/4885CREBBP 4294/4885

“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.