SCHEMBL1150149

SCHEMBL1150149

CCc1ccccc1CCCC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.39
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MPO P05164 1/20 0.37
SLC6A4 P31645 1/20 0.37
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DRD3 P35462 1/20 0.34
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 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
SCHEMBL1150682 0.88 MEN1 (0.43) L3MBTL1TSHRGABRA1GABRB2MGLL
SCHEMBL31324218 0.88 MEN1 (0.43) L3MBTL1TSHRGABRA1GABRB2MGLL
SCHEMBL11192733 0.82 GABRA1 (0.44) GABRA1GABRB2MGLLCYP4F2CYP4A11
SCHEMBL11576862 0.81 TSHR (0.39) ATML3MBTL1TSHRCYP4F2CYP4A11
SCHEMBL11418459 0.80 ALDH1A1 (0.47) ATML3MBTL1TSHRCYP4F2CYP4A11
SCHEMBL31324220 0.80 TSHR (0.44) ATML3MBTL1TSHRMEN1KMT2A
SCHEMBL8852219 0.80 ATM (0.41) ATML3MBTL1TSHRMPOSLC6A4
SCHEMBL1151026 0.80 TAAR1 (0.50) ATML3MBTL1TSHRMPOSLC6A4
SCHEMBL11656816 0.77 ALDH1A1 (0.45) ATML3MBTL1TSHRKMT2ACYP4F2
SCHEMBL1087070 0.76 LIPG (0.50) GABRA1GABRB2LIPGBIDBCL2L1

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 ATM 3088/4885L3MBTL1 4248/4885TSHR 2803/4885
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C ATM 3616/4885L3MBTL1 3860/4885TSHR 2066/4885

“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.