SCHEMBL5485622

SCHEMBL5485622

COc1ccccc1N1CCN(CCC(N)=O)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.73
ALDH1A1 P00352 3/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 1/20 0.67
DRD2 P14416 2/20 0.66
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTR7 P34969 1/20 0.64
DRD3 P35462 1/20 0.63
POLB P06746 1/20 0.62

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
Hydrochloric Acid SCHEMBL11047857 0.99 HTR1A (0.71) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL3188003 0.93 ALDH1A1 (0.71) HTR1AALDH1A1DRD2KDM4ETDP1
Hydrochloric Acid SCHEMBL3196115 0.92 HTR1A (0.71) HTR1AALDH1A1DRD2KDM4ETDP1
SCHEMBL6956822 0.92 KDM4E (0.72) HTR1AALDH1A1DRD2KDM4ETDP1
SCHEMBL3160665 0.88 HTR1A (0.79) HTR1AALDH1A1MAPTHTTKMT2A
Benzene SCHEMBL10433203 0.88 HTR1A (0.79) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL11045002 0.87 HTR1A (0.68) HTR1AALDH1A1KMT2ADRD2KDM4E
SCHEMBL4171472 0.86 KDM4E (0.65) HTR1AALDH1A1MAPTKMT2ADRD2
SCHEMBL3056156 0.86 HTR1A (0.68) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL6352028 0.84 HTR1A (1.00) HTR1AALDH1A1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185129-A1 ACID ADDITION SALTS OF THIENOPYRANCARBOXAMIDE DERIVATIVES RECORDATI IRELAND LIMITED (IE) 2007-08-09 US disclosed
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 CN disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed
US-3984555-A HAVING HYPOTENSIVE, ANTIHISTAMINIC, AND ANALGESIC ACTIONS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-10-05 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 (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-20070185129-A1 ACID ADDITION SALTS OF THIENOPYRANCARBOXAMIDE DERIVATIVES CA2, SLC30A5, ASIC3 HTR1A 2646/4885ALDH1A1 552/4885MAPT 2624/4885

“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.