SCHEMBL2987773

SCHEMBL2987773

FC(F)(F)c1cc(COc2cccc([C@@H]3CCCCN3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F10 P00742 1/20 0.42
KCNH2 Q12809 1/20 0.40

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
SCHEMBL9025417 1.00 TACR1 (0.52) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8546078 0.99 MEN1 (0.53) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9025318 0.81 KCNH2 (0.42) CYP1A2CYP2D6MEN1KMT2ACYP2C9
SCHEMBL24310072 0.79 KCNH2 (0.57) KCNH2
Hydrochloric Acid SCHEMBL9024656 0.79 MEN1 (0.43) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2706723 0.77 HTR2C (0.56) CYP1A2CYP2D6MEN1KMT2ACYP2C9
SCHEMBL2706706 0.74 CYP2D6 (0.44) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9583353 0.73 HTR2C (0.58) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL30096915 0.73 HTR2C (0.58) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL27326493 0.73 CYP2D6 (0.42) TACR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016642-B1 METHOD FOR PREVENTING AND/OR TREATING CHRONIC TRAUMATIC ENCEPHALOPATHY-I EUSTRALIS PHARMACEUTICALS LTD TRADING AS PRESSURA NEURO (AU) 2019-03-13 EP disclosed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 US disclosed
US-20100311803-A1 METHOD FOR REDUCING INFLAMMATORY RESPONSES AND INFLAMMATION ADELAIDE RESEARCH & INNOVATION PTY LTD 2010-12-09 US disclosed
US-20100305183-A1 METHOD AND COMPOSITION FOR REDUCING REPERFUSION INJURY ADELAIDE RESEARCH & INNOVATION PTY LTD 2010-12-02 US disclosed
US-20100184819-A1 METHOD FOR REDUCING INTRACRANIAL PRESSURE ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2010-07-22 US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US disclosed
US-20060228752-A1 Genetic polymorphisms in the preprotachykinin gene FOERNZLER DOROTHEE 2006-10-12 US disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US disclosed
EP-1472377-A2 GENETIC POLYMORPHISMS IN THE PREPROTACHYKININ GENE F. HOFFMANN-LA ROCHE AG (CH) 2004-11-03 EP disclosed
EP-1261335-A4 BRAIN, SPINAL AND NERVE INJURY TREATMENT HOFFMANN LA ROCHE (CH) 2004-09-22 EP disclosed
EP-1385577-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. Hoffman-la Roche AG (CH) 2004-02-04 EP disclosed
US-20030158187-A1 Isolated nucleic acids, a diagnostic kit, sequence identification, gene sequence determination, a computer program with stored sequence information F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003064685-A2 GENETIC POLYMORPHISMS IN THE PREPROTACHYKININ GENE F. HOFFMANN-LA ROCHE AG (CH) 2003-08-07 WO disclosed
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
EP-1261335-A1 BRAIN, SPINAL AND NERVE INJURY TREATMENT F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
WO-2002085458-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. HOFFMAN-LA ROCHE AG (CH) 2002-10-31 WO disclosed
WO-2001052844-A1 BRAIN, SPINAL AND NERVE INJURY TREATMENT F. HOFFMANN-LA ROCHE AG (CH) 2001-07-26 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 (6 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 TACR1 1/4885TP53 4473/4885CYP1A2 2551/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 TACR1 1/4885TP53 4366/4885CYP1A2 2992/4885
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia KLK3, TACR1, TACR2 TACR1 2/4885TP53 1288/4885CYP1A2 1376/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885TP53 4366/4885CYP1A2 2992/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 TACR1 1/4885TP53 4473/4885CYP1A2 2551/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885TP53 4366/4885CYP1A2 2992/4885

“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.