SCHEMBL5327582

SCHEMBL5327582

Oc1cccc(Cc2ccc3c(c2)CCNCC3)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.54
▸ DRD1 P21728 2/20 0.54
▸ DRD4 P21917 1/20 0.49
▸ DRD5 P21918 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HTR1B P28222 1/20 0.47
▸ ADCY6 O43306 1/20 0.43
▸ ADCY3 O60266 1/20 0.43
▸ ADCY9 O60503 1/20 0.43
▸ ADCY5 O95622 1/20 0.43
▸ ADCY8 P40145 1/20 0.43
▸ ADCY7 P51828 1/20 0.43
▸ ADCY2 Q08462 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ ADCY4 Q8NFM4 1/20 0.43
▸ HTR2B P41595 2/20 0.42
▸ HTR2C P28335 3/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ MLNR O43193 4/20 0.42
▸ PARP11 Q9NR21 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
SCHEMBL5325264 0.82 ADCY6 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5327478 0.80 APP (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5325119 0.78 KDM4E (0.50) HTR1BHTR2BHTR2CHTR2ASLC6A2
SCHEMBL4030395 0.75 DRD2 (0.79) DRD2DRD1DRD4DRD5DRD3
SCHEMBL31317940 0.75 DRD2 (0.79) DRD2DRD1DRD4DRD5DRD3
SCHEMBL30979264 0.75 ENPP2 (0.65) DRD2DRD1DRD4DRD5DRD3
SCHEMBL70267 0.75 ENPP2 (0.65) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4179106 0.75 HTR2C (0.46) DRD2DRD1HTR2BHTR2CHTR2A
SCHEMBL18766202 0.74 HTR2C (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29321156 0.74 PARP11 (0.54) DRD2DRD3HTR2BHTR2CHTR2A

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 DRD2 72/4885DRD1 346/4885DRD4 194/4885

“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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