SCHEMBL4773456

SCHEMBL4773456

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccncc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
DGAT2 Q96PD7 1/20 0.52
GRM1 Q13255 6/20 0.52
GRM5 P41594 6/20 0.51
JAK1 P23458 1/20 0.50

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
SCHEMBL31001707 0.92 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12326386 0.92 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7916133 0.85 MAPT (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31285862 0.85 MAPT (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18324769 0.85 MAPT (0.47) HTR6MAPT
SCHEMBL8613887 0.82 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24377909 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16610316 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2267096 0.82 CHEK1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL892861 0.82 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO disclosed
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 EP disclosed
US-20030225063-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-6635633-B2 Substituted pyrazoles ORTHO-PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
US-20030105065-A1 Novel quinolines and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-05 US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (7 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-20030105065-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 GABRP 2089/4885GABRD 1507/4885GABRA1 836/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GABRP 2945/4885GABRD 4542/4885GABRA1 4158/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B GABRP 1063/4885GABRD 1900/4885GABRA1 707/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B GABRP 1063/4885GABRD 1900/4885GABRA1 707/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GABRP 2945/4885GABRD 4542/4885GABRA1 4158/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GABRP 1567/4885GABRD 1569/4885GABRA1 942/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A GABRP 1152/4885GABRD 2029/4885GABRA1 703/4885

“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.