SCHEMBL1163038

SCHEMBL1163038

CCOc1c(F)ccc2c1c(CCNCCc1ccccn1)cn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 4/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
GNRHR P30968 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRB2 P07550 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 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
SCHEMBL1163616 0.82 THRB (0.40) TAAR1MEN1KMT2AADRB2ATM
SCHEMBL1163521 0.80 ATM (0.47) ALDH1A1CYP1A2CYP2C19LMNATAAR1
SCHEMBL1163618 0.77 NPSR1 (0.39) ALDH1A1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1163177 0.76 GRIN2B (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL1163153 0.75 KMT2A (0.48) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL1163045 0.74 ADRB2 (0.43) CYP2C19GNRHRMEN1KMT2ACYP2D6
SCHEMBL1163027 0.74 ADRB2 (0.49) KDM4EMEN1KMT2AHTR2AADRB2
SCHEMBL13592843 0.73 HTR2C (0.50) TAAR1HTR2AHTR2C
SCHEMBL19651874 0.72 ADRB2 (0.40) TAAR1HTR2AADRB2PKM
Hydrochloric Acid SCHEMBL4391300 0.72 HTR2C (0.49) TAAR1HTR2AHTR2C

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 ALDH1A1 277/4885CYP1A2 346/4885CYP2C19 202/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ALDH1A1 277/4885CYP1A2 346/4885CYP2C19 202/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ALDH1A1 277/4885CYP1A2 346/4885CYP2C19 202/4885

“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.