SCHEMBL3228205

SCHEMBL3228205

C[C@@H]1c2ccccc2C[C@@H]1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
HTR2A P28223 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
OPRM1 P35372 3/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ANPEP P15144 1/20 0.39
ACHE P22303 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
SCHEMBL294545 1.00 KDM1A (0.47) KDM1AHTR2ASIGMAR1OPRM1GRIN2D
SCHEMBL10557020 1.00 KDM1A (0.47) KDM1AHTR2ASIGMAR1OPRM1GRIN2D
SCHEMBL10557026 1.00 KDM1A (0.47) KDM1AHTR2ASIGMAR1OPRM1GRIN2D
SCHEMBL6230330 0.79 DRD2 (0.50) HTR2AANPEP
SCHEMBL10618263 0.79 MTNR1A (0.43) KDM1AHTR2AOPRM1
SCHEMBL15018685 0.77 KDM1A (0.50) KDM1AHTR2ASIGMAR1GRIN2DGRIN3B
SCHEMBL3202238 0.77 KDM1A (0.50) KDM1AHTR2ASIGMAR1GRIN2DGRIN3B
SCHEMBL30968147 0.77 KDM1A (0.50) KDM1AHTR2ASIGMAR1GRIN2DGRIN3B
SCHEMBL31349197 0.77 KDM1A (0.50) KDM1AHTR2ASIGMAR1GRIN2DGRIN3B
SCHEMBL8068536 0.77 KDM1A (0.50) KDM1AHTR2ASIGMAR1GRIN2DGRIN3B

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-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
US-4861789-A Dihydro-indene-amine-dihydrooxazoles BEECHAM GROUP PLC (GB) 1989-08-29 US disclosed
EP-0251453-A2 Substituted amino-dihydrooxazoles, -thiazoles and -imidazoles, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-01-07 EP 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 KDM1A 2895/4885HTR2A 172/4885SIGMAR1 196/4885

“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.