SCHEMBL900975

SCHEMBL900975

Cc1ccc(Cl)cc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.42
HTR2A P28223 3/20 0.41
TSHR P16473 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
EPAS1 Q99814 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
RRM1 P23921 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
SCHEMBL900982 0.84 TSHR (0.57) GAALMNAMEN1KMT2AMAPT
SCHEMBL25974456 0.82 HTR2A (0.46) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24811008 0.80 CYP3A4 (0.42) LMNAMAPTSMN1; SMN2CYP3A4HTR2A
SCHEMBL10821843 0.79 ALDH1A1 (0.46) GAALMNAMEN1KMT2AMAPT
SCHEMBL12180428 0.78 MEN1 (0.44) GAALMNAMEN1KMT2AMAPT
SCHEMBL900859 0.78 ALDH1A1 (0.39) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL14297591 0.77 HTT (0.40) LMNAMEN1KMT2AHTR2ATSHR
SCHEMBL680002 0.76 HSD17B10 (0.45) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL10203281 0.76 RXRA (0.42) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL14018146 0.76 L3MBTL1 (0.39) GAALMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 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-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GAA 1018/4885LMNA 170/4885MEN1 3823/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 GAA 1886/4885LMNA 1088/4885MEN1 2822/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B GAA 1337/4885LMNA 1867/4885MEN1 776/4885

“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.