SCHEMBL7694014

SCHEMBL7694014

CN(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.43
CES2 O00748 1/20 0.41
P2RX1 P51575 1/20 0.40
TSHR P16473 2/20 0.37
IDO1 P14902 2/20 0.37
MAPT P10636 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC2A1 P11166 1/20 0.36
AURKA O14965 1/20 0.35
XPO1 O14980 1/20 0.34
S1PR1 P21453 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
SCHEMBL14092975 0.91 GABRA1 (0.39) TACR1CES2P2RX1TSHRIDO1
SCHEMBL14228532 0.86 RAPGEF4 (0.40) TACR1P2RX1TSHRMAPTRAPGEF4
SCHEMBL6815372 0.84 NOTUM (0.43) TACR1CES2P2RX1TSHRSLC2A1
SCHEMBL5114612 0.84 MAPK1 (0.42) TACR1P2RX1TSHRIDO1MAPT
SCHEMBL30503556 0.84 NOTUM (0.43) TACR1CES2P2RX1TSHRSLC2A1
SCHEMBL11907625 0.84 P2RX1 (0.42) TACR1P2RX1TSHRRAPGEF4ALDH1A1
SCHEMBL15934222 0.84 ALDH1A1 (0.42) TACR1CES2P2RX1TSHRALDH1A1
SCHEMBL27650523 0.84 TACR1 (0.35) TACR1CES2P2RX1TSHRSLC2A1
SCHEMBL657091 0.84 TACR1 (0.43) TACR1CES2P2RX1IDO1MAPT
SCHEMBL14117328 0.81 SIGMAR1 (0.40) TACR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912822-B2 Process of manufacturing polyols DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-27 US disclosed
US-20200354383-A1 PROCESS OF MANUFACTURING POLYOLS DOW GLOBAL TECHNOLOGIES LLC 2020-11-12 US disclosed
WO-2019055727-A1 PROCESS OF MANUFACTURING POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-21 WO disclosed
WO-2019055742-A1 PROCESS OF MANUFACTURING SURFACTANTS AND LUBRICANTS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-21 WO disclosed
EP-3036236-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA AS (DK) 2017-06-07 EP disclosed
US-20160207930-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2016-07-21 US disclosed
EP-3036236-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2016-06-29 EP disclosed
WO-2015024878-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2015-02-26 WO disclosed
WO-2015024203-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2015-02-26 WO disclosed
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 US 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 (3 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-11912822-B2 Process of manufacturing polyols MRPL21, RER1, PCBP1 TACR1 2730/4885CES2 906/4885P2RX1 2102/4885
US-20200354383-A1 PROCESS OF MANUFACTURING POLYOLS MRPL21, RER1, PCBP1 TACR1 2730/4885CES2 906/4885P2RX1 2102/4885
US-20160207930-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II TACR2, TACR1, HRH4 TACR1 2/4885CES2 2503/4885P2RX1 62/4885

“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.