SCHEMBL6465969

SCHEMBL6465969

CCCN(C)Cc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.61
BCHE P06276 3/20 0.57
SIGMAR1 Q99720 2/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
ACHE P22303 1/20 0.48
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
LSS P48449 1/20 0.45

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
SCHEMBL14149518 0.90 SIGMAR1 (0.63) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL23423745 0.85 PYCR1 (0.65) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL8088645 0.81 SIGMAR1 (0.61) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL11932561 0.79 SIGMAR1 (0.58) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL17447228 0.79 PYCR1 (0.61) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL22912456 0.78 BCHE (0.54) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL21118237 0.78 HRH3 (0.54) PYCR1SIGMAR1
SCHEMBL20021997 0.77 BCHE (0.83) BCHESIGMAR1CYP1A2CYP2A6SLC6A2
SCHEMBL23374539 0.77 PYCR1 (0.59) PYCR1BCHESIGMAR1CYP1A2CYP2A6
SCHEMBL13783914 0.77 CYP1A2 (0.61) PYCR1BCHESIGMAR1CYP1A2ACHE

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC PYCR1 4057/4885BCHE 140/4885SIGMAR1 1951/4885

“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.