SCHEMBL5327478

SCHEMBL5327478

Oc1cccc(OCc2ccc3c(c2)CCNCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.52
▸ DRD2 P14416 2/20 0.49
▸ DRD1 P21728 2/20 0.49
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RXRB P28702 3/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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
SCHEMBL5334361 0.85 MAOB (0.55) APPADRA2AADRA2BADRA2CMRGPRX4
SCHEMBL5327582 0.80 DRD2 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5045262 0.77 MAOB (0.57) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL3077665 0.77 HRH3 (0.67) ADRA2AADRA2BADRA2CNPC1RAB9A
Hydrochloric Acid SCHEMBL5040459 0.76 MAOB (0.56) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL27735405 0.73 APP (0.77) APPRAB9AL3MBTL1LMNAGAA
SCHEMBL11961606 0.71 MAOB (0.54) NPC1RAB9APOLBGFERPAX8
SCHEMBL3898063 0.71 HTR2C (0.66) NPC1RAB9APOLBGFERPAX8
SCHEMBL29097961 0.71 MAOB (0.52) NPC1RAB9AHRH3
SCHEMBL30199621 0.71 MAOB (0.52) NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 — — WO disclosed
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 — — WO disclosed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 — — US disclosed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 — — US disclosed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 — — 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 (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-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA HTR2B, HTR2A, HTR3B APP 2527/4885DRD2 72/4885DRD1 346/4885

“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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