Sugi Predict

Sugi Predict / Compounds / SCHEMBL4039422

SCHEMBL4039422

SCHEMBL4039422

C[C@@H]1CNCc2cc3cc(F)c(Cl)cc3n21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4039430 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL4044712 0.88 SLC6A2 (0.35) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4044709 0.88 SLC6A2 (0.35) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4041758 0.87 SLC6A2 (0.37) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4041767 0.87 SLC6A2 (0.37) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4043084 0.84 HTR2C (0.35) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL4043381 0.84 HTR2C (0.35) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4050392 0.83 — —
Hydrochloric Acid SCHEMBL4050398 0.83 — —
SCHEMBL4045070 0.81 — —

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
WO-2009026422-A2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 — — WO claimed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 — — EP claimed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 — — EP disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 — — EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 — — WO disclosed
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 — — US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 — — US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 — — US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 — — EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 — — US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 — — US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 — — EP disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 — — US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 — — EP disclosed
EP-0889867-B1 PROCESS FOR THE MANUFACTURE OF FLUORINE-SUBSTITUTED HYDROCARBONS DU PONT (US) 2003-01-08 — — EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 — — US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 — — WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 — — US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 — — WO disclosed
US-6242658-B1 INVOLVING NICKEL METALLACYCLES (NICKEL TRINEOPENTYLPHOSPHITE)WITH PHOSPHITE LIGANDS E. I. DUPONT DE NEMOURS AND COMPANY 2001-06-05 — — 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 (5 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR HTR2A 68/4885HTR2C 77/4885HTR2B 93/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HTR2A 78/4885HTR2C 65/4885HTR2B 203/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR HTR2A 68/4885HTR2C 77/4885HTR2B 93/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HTR2A 140/4885HTR2C 158/4885HTR2B 366/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A HTR2A 16/4885HTR2C 34/4885HTR2B 61/4885

“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.