SCHEMBL909586

SCHEMBL909586

N#CC(c1ccccc1)c1ccccc1.[Ar]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
TRPA1 O75762 1/20 0.54
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C1 Q04828 1/20 0.53
ALPG P10696 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.40
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL181005 0.97 TSHR (0.56) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13198785 0.94 ALDH1A1 (0.58) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6307398 0.94 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27539023 0.94 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
Acetonitrile SCHEMBL28159901 0.90 ALDH1A1 (0.55) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL28381532 0.87 ALDH1A1 (0.49) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7995238 0.84 SLC6A2 (0.58) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5164828 0.84 L3MBTL1 (0.56) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5773518 0.84 ALDH1A1 (0.50) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5052368 0.84 ALDH1A1 (0.74) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003808-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2011-01-06 US disclosed
EP-2222673-A1 OCTAHYDROQUINOLI ZINES FOR ANTIDIABETIC TREATMENT 55pharma Drug Discovery & Development AG (AT) 2010-09-01 EP disclosed
WO-2009076693-A1 OCTAHYDROQUINOLI ZINES FOR ANTIDIABETIC TREATMENT 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2009-06-25 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-20110003808-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT GPR119, LIPC, GLP1R TSHR 2069/4885TRPA1 2821/4885ALDH1A1 802/4885

“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.