SCHEMBL5997652

SCHEMBL5997652

COc1cccc2c1CC1CC2C(O)C1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
HTR1A P08908 7/20 0.40
ACHE P22303 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
POLL Q9UGP5 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AADAT Q8N5Z0 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
SCHEMBL15773405 0.79 HSD11B1 (0.48) HSD11B1HTR1AACHEDRD2DRD3
SCHEMBL3829609 0.75 SLC5A1 (0.30)
SCHEMBL25604495 0.73 ACHE (0.44) HSD11B1ACHEDRD2DRD3POLL
SCHEMBL10321377 0.71 DRD2 (0.46) ACHEDRD2DRD3POLLHTR2A
SCHEMBL15773366 0.71 ACHE (0.49) HSD11B1HTR1AACHEDRD2DRD3
SCHEMBL2051002 0.71 HTR2A (0.34) HSD11B1HTR1ADRD2DRD3DRD4
SCHEMBL3833035 0.71 POLL (0.51) ACHEPOLLHTR2AHTR2CHTR2B
SCHEMBL15773723 0.68 HSD11B1 (0.41) HSD11B1HTR1AACHEDRD2DRD3
SCHEMBL16591167 0.67 HTR2C (0.57) POLLHTR2AHTR2CHTR2BSLC6A2
SCHEMBL1508668 0.67 POLL (0.62) HSD11B1HTR1ADRD2DRD3POLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US disclosed
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 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 (3 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-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A HSD11B1 223/4885HTR1A 43/4885ACHE 237/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 HSD11B1 173/4885HTR1A 13/4885ACHE 176/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 HSD11B1 173/4885HTR1A 13/4885ACHE 176/4885

“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.