SCHEMBL3202238

SCHEMBL3202238

N[C@@H]1Cc2ccccc2[C@@H]1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
HTR2A P28223 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
ANPEP P15144 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL15018685 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL31349197 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL13779890 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL8068536 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL30968147 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL3196912 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
Hydrochloric Acid SCHEMBL2590934 0.98 KDM1A (0.53) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL3228205 0.77 KDM1A (0.47) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL1239150 0.77 KDM1A (0.47) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL10557020 0.77 KDM1A (0.47) KDM1AHTR2ASIGMAR1ANPEPGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029985-A1 Process AVECIA PHARMACEUTICALS LIMITED (GB) 2010-02-04 US disclosed
WO-2009037416-A1 PROCESS FOR PREPARING SULPHONAMIDES NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2009-03-26 WO disclosed
US-20060252964-A1 Process for the preparation of aromatic amines AVECIA PHARMACEUTICALS LIMITED (GB) 2006-11-09 US disclosed
EP-1210305-B1 TRANSFER HYDROGENATION PROCESS AVECIA PHARMACEUTICALS LTD (GB) 2005-07-20 EP disclosed
US-6696608-B1 PRODUCING PRIMARY OR SECONDARY AMINES FROM N-SUBSTITUTED IMINES AND IMINIUM SALTS AVECIA LIMITED (GB) 2004-02-24 US disclosed
EP-1117627-B1 TRANSFER HYDROGENATION PROCESS AVECIA LTD (GB) 2003-05-28 EP disclosed
US-6509467-B1 Of iminium salts using transition metal complex catalyst AVECIA LIMITED (GB) 2003-01-21 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 (2 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-20100029985-A1 Process ADH1A, ADH1C, AKR1C3 KDM1A 1206/4885HTR2A 1435/4885SIGMAR1 483/4885
US-20060252964-A1 Process for the preparation of aromatic amines TYR, PAH, NPR1 KDM1A 176/4885HTR2A 299/4885SIGMAR1 402/4885

“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.