SCHEMBL2710696

SCHEMBL2710696

Cn1c(N2CCNCC2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.58
▸ HTR2C P28335 3/20 0.58
▸ SOS1 Q07889 4/20 0.57
▸ ADRB2 P07550 1/20 0.51
▸ NCF1 P14598 1/20 0.51
▸ ADRB1 P08588 2/20 0.48
▸ HTR3E A5X5Y0 2/20 0.47
▸ HTR3B O95264 2/20 0.47
▸ HTR3A P46098 2/20 0.47
▸ HTR3D Q70Z44 2/20 0.47
▸ HTR3C Q8WXA8 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL14046559 0.86 KDM4E (0.60) HTR1DHTR2CSOS1ADRB2HTR3E
SCHEMBL194667 0.82 SOS1 (0.54) SOS1HTR3ASMN1; SMN2
SCHEMBL6769805 0.79 SOS1 (0.55) SOS1ADRB2NCF1HTR3EHTR3B
SCHEMBL2709699 0.75 HTR3A (0.63) HTR3AKMT2AMEN1
SCHEMBL13672559 0.74 HSD11B1 (0.49) SIGMAR1KDM4EMAPTKMT2AMEN1
SCHEMBL440396 0.74 PDE10A (0.53) HTR1DHTR2CSOS1ADRB2NCF1
Hydrochloric Acid SCHEMBL29689100 0.74 HTR3A (0.62) HTR3AKMT2AMEN1
SCHEMBL2533944 0.73 SOS1 (0.49) HTR1DHTR2CSOS1ADRB2NCF1
SCHEMBL6770370 0.73 SOS1 (0.51) SOS1HTR3ASMN1; SMN2
SCHEMBL10238327 0.73 MEN1 (0.47) HTR1DHTR2CHTR3EHTR3BHTR3A

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 HTR1D 1562/4885HTR2C 2119/4885SOS1 3957/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HTR1D 1562/4885HTR2C 2119/4885SOS1 3957/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 HTR1D 420/4885HTR2C 1460/4885SOS1 3257/4885

“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.

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