SCHEMBL1163043

SCHEMBL1163043

CNCCc1cn(C)c2ccc(F)c(OCCc3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
ATM Q13315 1/20 0.39
HASPIN Q8TF76 1/20 0.36
MMP13 P45452 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HRH1 P35367 1/20 0.34
SNCA P37840 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1163322 0.92 TAAR1 (0.44) TAAR1HASPINMMP13MEN1KMT2A
SCHEMBL19650679 0.91 TAAR1 (0.40) TAAR1ATMSNCASIGMAR1
SCHEMBL1163093 0.90 TAAR1 (0.43) TAAR1HASPINMMP13L3MBTL1SNCA
SCHEMBL1162971 0.89 HTR1B (0.43) TAAR1L3MBTL1
SCHEMBL1163080 0.88 ADRB2 (0.42) TAAR1MMP13
SCHEMBL1163481 0.87 TAAR1 (0.40) TAAR1MEN1KMT2AHRH1
SCHEMBL1163535 0.86 HASPIN (0.35) HASPINMMP13MEN1KMT2ATP53
SCHEMBL1163064 0.86 TAAR1 (0.48) TAAR1SNCA
SCHEMBL1163198 0.84 HTR2C (0.47) TAAR1
SCHEMBL1163145 0.84 TAAR1 (0.42) TAAR1MEN1KMT2ASNCATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US claimed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885ATM 2349/4885HASPIN 1573/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885ATM 2349/4885HASPIN 1573/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885ATM 2349/4885HASPIN 1573/4885

“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.