SCHEMBL7253603

SCHEMBL7253603

CN(C)CCn1ncc2ccc(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.59
EGFR P00533 4/20 0.55
HTR2A P28223 5/20 0.43
HTR2C P28335 5/20 0.43
HTR2B P41595 4/20 0.43
ESRRG P62508 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR1D P28221 2/20 0.38
HTR7 P34969 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL17678221 0.91 KMO (0.57) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL23533615 0.88 EGFR (0.55) KMOEGFRHTR2AHTR2CKCNH2
SCHEMBL7253683 0.85 KMO (0.57) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL17678355 0.83 KMO (0.61) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL27165371 0.82 HTR2A (0.57) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL31079475 0.82 HTR2A (0.66) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL6070011 0.82 HTR2A (0.47) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL17673818 0.81 KMO (0.66) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL7253033 0.80 KMO (0.68) KMOEGFRHTR2AHTR2CHTR2B
SCHEMBL24148142 0.80 KMO (0.64) KMOEGFRHTR2AHTR2CHTR2B

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 KMO 225/4885EGFR 2782/4885HTR2A 425/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 KMO 2987/4885EGFR 1150/4885HTR2A 3850/4885

“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.