SCHEMBL2870036

SCHEMBL2870036

O=C1OCC2(Cc3ccccc3)CNCCN12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.34
DPP4 P27487 1/20 0.34
CYP2D6 P10635 3/20 0.33
TSHR P16473 2/20 0.33
ELANE P08246 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
FAAH O00519 3/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL5231140 0.75 HTR2C (0.38) SIGMAR1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL13176131 0.74 FKBP1A (0.35) FAAHKMT2ANAAA
SCHEMBL6691330 0.69 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL3554629 0.68 HTR2A (0.45) SIGMAR1HTR2AHTR2CHTR2BCYP3A4
SCHEMBL3861069 0.68 MEN1 (0.43) SIGMAR1HTR2AHTR2CDPP4CYP2D6
SCHEMBL5230429 0.68 ELANE (0.39) SIGMAR1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL2858192 0.67 ACHE (0.42) CHRM2
SCHEMBL6695304 0.67 HTR2C (0.38) SIGMAR1HTR2AHTR2CHTR2BHTR6
SCHEMBL4278991 0.66 CYP2D6 (0.44) SIGMAR1HTR2ACYP2D6TSHRCYP3A4
SCHEMBL3595534 0.66 TACR1 (0.37) SIGMAR1TSHRFAAHLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1001970-B1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER (US) 2007-03-07 EP disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP disclosed
US-6953791-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-11 US disclosed
US-6951850-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-04 US disclosed
US-6924280-B2 Dipeptide derivatives PFIZER INC. (US) 2005-08-02 US disclosed
US-RE38524-E1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2004-06-01 US disclosed
US-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure CARPINO PHILIP ALBERT (US) 2004-01-15 US disclosed
US-20040006063-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2004-01-08 US disclosed
US-20030216399-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2003-11-20 US disclosed
US-6525047-B2 Which are growth hormone secretogogues and increase the level of endogenous growth hormone; treating osteoporosis, congestive heart failure, frailty associated with aging, obesity; accelerating bone fracture repair PFIZER INC. 2003-02-25 US disclosed
US-6432945-B1 Dipeptide derivatives PFIZER INC. 2002-08-13 US disclosed
US-6433171-B1 FOR OSTEOPOROSIS AND/OR FRAILTY, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING, OBESITY; ACCELERATING BONE FRACTURE REPAIR, ATTENUATING PROTEIN CATABOLIC RESPONSE AFTER A MAJOR OPERATION, REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2002-08-13 US disclosed
US-6429313-B2 Dipeptide derivatives PFIZER INC. 2002-08-06 US disclosed
US-20020065284-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-05-30 US disclosed
US-20020042415-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-04-11 US disclosed
US-20020002165-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-01-03 US disclosed
US-20010041703-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2001-11-15 US disclosed
US-6251902-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2001-06-26 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 (8 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-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure GHSR, GHRHR, GIPR SIGMAR1 2778/4885HTR2A 563/4885HTR2C 992/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SIGMAR1 3655/4885HTR2A 663/4885HTR2C 1093/4885
US-20010041703-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SIGMAR1 3896/4885HTR2A 1525/4885HTR2C 2168/4885
US-20020002165-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SIGMAR1 3655/4885HTR2A 663/4885HTR2C 1093/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SIGMAR1 3589/4885HTR2A 455/4885HTR2C 1264/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 SIGMAR1 71/4885HTR2A 685/4885HTR2C 264/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SIGMAR1 3655/4885HTR2A 663/4885HTR2C 1093/4885
US-20020065284-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SIGMAR1 3655/4885HTR2A 663/4885HTR2C 1093/4885

“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.