SCHEMBL3313828

SCHEMBL3313828

BrCCC1CC2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.31

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
SCHEMBL25233759 0.85 MEN1 (0.41) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL9789969 0.80
SCHEMBL10787062 0.76 MEN1 (0.37) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL7988311 0.76 MEN1 (0.37) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL19746512 0.76 MEN1 (0.41) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL222555 0.76 MEN1 (0.41) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL3316247 0.76 MEN1 (0.41) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL7128011 0.76 MEN1 (0.37) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL625637 0.76 MEN1 (0.37) OPRK1MEN1NPC1RAB9AKMT2A
SCHEMBL15373732 0.76 MEN1 (0.41) OPRK1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117004001-A Mechanochromatic polyester polyol and preparation method and application thereof 万华化学集团股份有限公司 2023-11-07 CN disclosed
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 WO disclosed
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 OPRK1 102/4885MEN1 3597/4885NPC1 4456/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 OPRK1 41/4885MEN1 3337/4885NPC1 3614/4885
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 OPRK1 564/4885MEN1 3947/4885NPC1 2292/4885

“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.