SCHEMBL1150682

SCHEMBL1150682

CCc1ccccc1CCC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
MGLL Q99685 1/20 0.39
TSHR P16473 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
DRD3 P35462 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
EGFR P00533 1/20 0.35
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL31324218 1.00 MEN1 (0.43) MEN1KMT2AGABRA1GABRB2MGLL
SCHEMBL8764227 0.89 MEN1 (0.52) MEN1KMT2ATSHRFFAR1FFAR4
SCHEMBL1150149 0.88 ATM (0.41) MEN1KMT2AGABRA1GABRB2MGLL
SCHEMBL31324220 0.83 TSHR (0.44) MEN1KMT2ATSHRALDH1A1DRD3
SCHEMBL8763171 0.82 MEN1 (0.46) MEN1KMT2ATSHRFFAR1FFAR4
SCHEMBL910690 0.80 GABRA1 (0.47) GABRA1GABRB2MGLLFFAR1MAPT
SCHEMBL3819366 0.79 SLC6A4 (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8851766 0.78 MEN1 (0.43) MEN1KMT2ATSHRFFAR1FFAR4
SCHEMBL11144187 0.78 TAAR1 (0.54) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL1126551 0.78 MEN1 (0.43) MEN1KMT2ATSHRFFAR1FFAR4

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-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US 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 (2 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B MEN1 2311/4885KMT2A 2005/4885GABRA1 1360/4885
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C MEN1 3674/4885KMT2A 1449/4885GABRA1 668/4885

“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.