SCHEMBL8552300

SCHEMBL8552300

COc1cccc(OC)c1OCCBr

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HTR1A P08908 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3062573 0.90 SMN1; SMN2 (0.77) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL3079261 0.88 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL17911621 0.85 LMNA (0.52) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL31474821 0.83 NPC1 (0.59) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL30674616 0.81 L3MBTL1 (0.58) SMN1; SMN2MAPK1L3MBTL1POLBLMNA
SCHEMBL3528579 0.81 L3MBTL1 (0.58) SMN1; SMN2MAPK1L3MBTL1POLBLMNA
SCHEMBL3069851 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL10661800 0.79 SMN1; SMN2 (0.73) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL11568120 0.79 SMN1; SMN2 (0.80) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB
SCHEMBL7332384 0.79 SMN1; SMN2 (0.73) SMN1; SMN2MAPK1L3MBTL1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
EP-0445026-B1 Aminomethylpiperidine derivatives, their process for preparation and the pharmaceutical compositions containing them ADIR (FR) 1994-01-26 EP disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed
US-5229399-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 US disclosed
US-5229398-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 US disclosed
US-5192775-A Analgesics ADIR ET COMPAGNIE (FR) 1993-03-09 US disclosed
EP-0445026-A1 Aminomethylpiperidine derivatives, their process for preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-09-04 EP disclosed
US-4027028-A HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1977-05-31 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-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers TAS2R1, TAS1R1, TAS2R40 SMN1; SMN2 1710/4885MAPK1 1957/4885L3MBTL1 4236/4885

“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.