SCHEMBL16196854

SCHEMBL16196854

O=c1n(-c2ccc(Br)cc2F)cnn1CCN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.37
MAOB P27338 2/20 0.37
HTR1A P08908 3/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1B P35368 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
BCHE P06276 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MCHR2 Q969V1 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 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
SCHEMBL16197185 0.91 KMT2A (0.39) CNR1
SCHEMBL16196970 0.90 MAOB (0.36) MCHR1MAOBFPR3FPR2RXFP1
SCHEMBL16197479 0.83 RXFP1 (0.38) MAOBRXFP1
SCHEMBL16196831 0.82 MAOB (0.36) MAOBHTR1ARXFP1
SCHEMBL16196907 0.82 KMT2A (0.36) CNR1
SCHEMBL16197632 0.81 F10 (0.39)
SCHEMBL30203112 0.80 PPARD (0.36) FPR2RXFP1
SCHEMBL16196958 0.80 ALDH1A1 (0.41) MAOBRXFP1
SCHEMBL16197188 0.80 SMN1; SMN2 (0.39) MAOBHTR1ARXFP1
SCHEMBL17558003 0.78 AKR1B1 (0.39) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
EP-2989093-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2016-03-02 EP disclosed
WO-2014175621-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2014-10-30 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-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GPR119, GPR88, GCGR MCHR1 962/4885MAOB 4104/4885HTR1A 1044/4885

“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.