SCHEMBL3412955

SCHEMBL3412955

CCc1cc(CC(=O)O)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.61
GABRD O14764 2/20 0.61
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
GABRE P78334 2/20 0.61
GABRA6 Q16445 2/20 0.61
GABRG1 Q8N1C3 2/20 0.61
GABRG3 Q99928 2/20 0.61
GABRQ Q9UN88 2/20 0.61
GAA P10253 5/20 0.49
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 5/20 0.44

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
SCHEMBL10909219 0.85 CYP1A2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8912968 0.83 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12028461 0.81 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13653554 0.80 CDC7 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3092847 0.79 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4595837 0.79 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL7493596 0.78 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL218290 0.78 NOS3 (0.61) POLBCYP1A2KDM4ETSHRLMNA
SCHEMBL6219254 0.77 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2935815 0.76 RECQL (0.55) POLBCYP1A2HSD17B10KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249760-B Synthesis and application of fluorescent probe capable of simultaneously distinguishing hypochlorous acid and hydrogen peroxide through three channels 湖南师范大学 2023-04-25 CN disclosed
US-20100219397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-09-02 US disclosed
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
WO-2003076403-A1 1,2-DISUBSTITUDED-6-OXO-3-PHENYL-PIPERIDINE-3-CARBOXAMIDES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-09-18 WO disclosed
US-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-09-11 US disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-0846687-B1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors LILLY CO ELI (US) 2001-08-08 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
US-5972972-A FOR TREATMENT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA-INDUCED SHOCK, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1998024437-A1 PYRAZOLES AS HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
EP-0846687-A1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY (US) 1998-06-10 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 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-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof BRD4, BICRA, HDAC6 GABRP 47/4885GABRD 208/4885GABRA1 106/4885
US-20100219397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EPCAM, OR10J3, MYH9 GABRP 2720/4885GABRD 1593/4885GABRA1 2231/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 GABRP 3188/4885GABRD 3586/4885GABRA1 4360/4885

“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.