SCHEMBL3841365

SCHEMBL3841365

Cc1ccccc1[C@H]1CCC[C@H]1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
TAAR1 Q96RJ0 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
KDM1B Q8NB78 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL5004304 1.00 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL1643784 0.96 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL1643791 0.96 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL1643782 0.96 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL18583628 0.86 KDM1A (0.43) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL7094447 0.79 HTR2C (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL7864324 0.79 HTR2C (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL7094448 0.79 HTR2C (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL29851647 0.77 DPP4 (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL13598558 0.77 DPP4 (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1

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-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C KDM1A 4091/4885HTR2C 117/4885HTR2A 155/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C KDM1A 4091/4885HTR2C 117/4885HTR2A 155/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 KDM1A 3819/4885HTR2C 110/4885HTR2A 345/4885

“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.