SCHEMBL2708438

SCHEMBL2708438

Clc1cnc(N2CCNCC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 2/20 0.50
ADRB1 P08588 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PLD1 Q13393 1/20 0.47
ADRB2 P07550 2/20 0.45
NCF1 P14598 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3683806 0.81 HTR2C (0.61) HTR2CCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL25391388 0.81 HTT (0.59) HTR2CCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL2709887 0.81 HTR2C (0.56) HTR2CCYP1A2CYP3A4MAPTCYP2D6
SCHEMBL30222862 0.81 HTR2C (0.56) HTR2CCYP1A2CYP3A4MAPTCYP2D6
SCHEMBL14046598 0.81 HRH4 (0.56) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL2709925 0.77 HTR2C (0.52) HTR2CCYP1A2CYP3A4MAPTMEN1
SCHEMBL7487101 0.77 MEN1 (0.70) HTR2CCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL24970954 0.76 HTR2C (0.51) HTR2CMAPTKDM4ENCF1HTR6
SCHEMBL4466630 0.75 MAPT (0.53) HTR2CCYP1A2CYP2C19MAPTADRB1
SCHEMBL2923601 0.74 CYP1A2 (0.55) HTR2CCYP1A2CYP3A4CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 CN disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HTR2C 2119/4885CYP1A2 1383/4885CYP3A4 173/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HTR2C 2119/4885CYP1A2 1383/4885CYP3A4 173/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 HTR2C 1460/4885CYP1A2 1134/4885CYP3A4 189/4885

“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.