SCHEMBL14452010

SCHEMBL14452010

CNCC1OCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.60
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 2/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RECQL P46063 1/20 0.57
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR7 P34969 1/20 0.55
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
BLM P54132 1/20 0.54
XBP1 P17861 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL30782878 1.00 TAAR1 (0.60) TAAR1ALDH1A1KMT2ALMNATSHR
SCHEMBL8276903 0.84 TSHR (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL19258004 0.83 ALDH1A1 (0.58) TAAR1ALDH1A1KMT2ALMNATSHR
SCHEMBL14438274 0.83 ALDH1A1 (0.54) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL20031046 0.81 TSHR (0.59) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL20031062 0.81 TSHR (0.59) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL13197463 0.81 ALDH1A1 (0.51) TAAR1ALDH1A1KMT2ALMNATSHR
SCHEMBL15286987 0.81 ALDH1A1 (0.56) TAAR1ALDH1A1KMT2ALMNATSHR
SCHEMBL19821145 0.80 TAAR1 (0.56) TAAR1ALDH1A1KMT2ALMNATSHR
SCHEMBL19821147 0.80 TAAR1 (0.56) TAAR1ALDH1A1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
CN-1246319-C Amino (thio) ether derivative MERCK PATENT AG (DE) 2006-03-22 CN disclosed
CN-1130180-A Amino (thio) ether derivative MERCK PATENT AG (DE) 1996-09-04 CN 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 TAAR1 2640/4885ALDH1A1 2070/4885KMT2A 3141/4885
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 TAAR1 4242/4885ALDH1A1 2611/4885KMT2A 4702/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 TAAR1 3354/4885ALDH1A1 4715/4885KMT2A 3360/4885

“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.