SCHEMBL1164591

SCHEMBL1164591

Cn1cc(CCCN)c2c(OCc3cccc(C(F)(F)F)c3)c(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
ADRB2 P07550 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAOA P21397 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR1 P21453 1/20 0.36
PRKX P51817 1/20 0.36
IKBKE Q14164 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL1975288 0.87 ADRB2 (0.47) MAOBADRB2IDO1THRATHRB
SCHEMBL1164594 0.85 HTR2B (0.50) MAOBADRB2IDO1THRATHRB
SCHEMBL1164593 0.83 MAOB (0.43) MAOBADRB2TAAR1IDO1THRA
SCHEMBL1163027 0.79 ADRB2 (0.49) ADRB2THRBSIGMAR1KDM4E
SCHEMBL12558410 0.78 HTR2A (0.46) MAOBADRB2MAOAKDM4EMAPT
SCHEMBL12558406 0.74 KDM1A (0.40) MAOBMAOAGAA
SCHEMBL1162963 0.73 TAAR1 (0.46) MAOBTAAR1THRATHRBMAOA
SCHEMBL4398038 0.71 HTR2C (0.49) TAAR1
SCHEMBL19650679 0.71 TAAR1 (0.40) MAOBTAAR1SIGMAR1MAOAALDH1A1
Hydrochloric Acid SCHEMBL3804499 0.70 HTR2C (0.48) TAAR1

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 8 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-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
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 (1 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-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MAOB 9/4885ADRB2 613/4885TAAR1 1521/4885

“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.