SCHEMBL7642983

SCHEMBL7642983

CC(C)(C)NCCc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.52
▸ ESRRG P62508 1/20 0.49
▸ MAOB P27338 4/20 0.45
▸ MAOA P21397 2/20 0.45
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP19A1 P11511 4/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ PRMT1 Q99873 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
SCHEMBL14176505 0.89 NPC1 (0.44) ESRRGMAOBMAOAALDH1A1CYP3A4
SCHEMBL13532752 0.81 NPC1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL17917284 0.81 NPC1 (0.40) CA1CA2ALDH1A1NPC1RAB9A
SCHEMBL10210911 0.80 IDO1 (0.46) MAOBALDH1A1ADRB2ADRB1ADRB3
SCHEMBL15980927 0.79 GRIA4 (0.53) ESRRGCA1CA2ALDH1A1NPC1
SCHEMBL8261416 0.79 TAAR1 (0.61) ALDH1A1
SCHEMBL10246680 0.79 TMEM97 (0.61) ESRRGCA2ALDH1A1CYP3A4ADRB2
SCHEMBL13900372 0.79 TAAR1 (0.61) GFERALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1640060 0.78 ATM (0.58) MAOBMAOAALDH1A1CYP3A4TSHR
SCHEMBL6615523 0.78 EPHX2 (0.46) GFERMAOBMAOACA12CA1

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 — — US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 — — US disclosed
EP-0854867-B1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME SPA (IT) 2002-07-31 — — EP disclosed
US-5977136-A Tetrahydroquinolines as NMDA antagonists GLAXO WELLCOME SPA (IT) 1999-11-02 — — US disclosed
EP-0854867-A1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1998-07-29 — — EP disclosed
WO-1997012870-A1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1997-04-10 — — 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 GFER 3990/4885ESRRG 3944/4885MAOB 1313/4885

“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.

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