SCHEMBL3134571

SCHEMBL3134571

COc1cc(C(C)CN)c(OC)cc1I

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ PMP22 Q01453 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ P2RX3 P56373 5/20 0.43
▸ P2RX2 Q9UBL9 5/20 0.43

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
SCHEMBL5800387 0.79 HTR1A (0.56) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL12205020 0.76 P2RX3 (0.53) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL5693440 0.75 HTR1A (0.51) HTR1AHTR2AHTR2CHTR2BCYP1A2
Hydrochloric Acid SCHEMBL30586342 0.74 PMP22 (0.53) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL8125001 0.74 ADRA2A (0.46) HTR2AHTR2CHTR2BCYP2D6TSHR
SCHEMBL12462185 0.73 HTR1A (0.43) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL16918802 0.73 HTR1A (0.43) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL27229037 0.73 HTR1A (0.44) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL481337 0.73 HTR2A (0.54) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL27534912 0.72 HTR1A (0.45) HTR1AHTR2AHTR2CHTR2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 — — US disclosed
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 — — US disclosed
US-7687620-B2 [1,4]diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents WYETH LLC (US) 2010-03-30 — — US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 — — US disclosed
US-7608626-B2 Substituted indolizines and derivatives as CNS agents WYETH (US) 2009-10-27 — — US disclosed
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 — — US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 — — US disclosed
US-20080200541-A1 Benzofuranyl Alkanamine Derivatives and Uses Thereof WYETH (US) 2008-08-21 — — US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 — — US disclosed
US-7402687-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-07-22 — — US disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 — — US disclosed
EP-1497296-A1 1,4 DIAZOCINO 7,8,1-hi INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 — — EP disclosed
EP-1497293-A1 (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 — — EP disclosed
EP-1497294-A1 1,2,3,4,7,8-HEXAHYDRO-6 i H /i - 1,4 DIAZEPINO 6,7 ,1- i 1J /i QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTI OBESITY AGENTS Wyeth (US) 2005-01-19 — — EP disclosed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 — — US disclosed
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-29 — — US disclosed
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 — — US disclosed
WO-2003091257-A1 [1,4]DIAZOCINO [7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 — — WO disclosed
WO-2003091251-A1 1,2,3,4,7,8-HEXAHYDRO-6H-[1,4]DIAZEPINO[6,7,1-1J]QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 — — WO disclosed
WO-2003091250-A1 [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 — — 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 (9 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A HTR1A 3/4885HTR2A 6/4885HTR2C 1/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 HTR1A 1/4885HTR2A 12/4885HTR2C 2/4885
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B HTR1A 2/4885HTR2A 12/4885HTR2C 1/4885
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR7 HTR1A 2/4885HTR2A 6/4885HTR2C 1/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A HTR1A 2/4885HTR2A 11/4885HTR2C 1/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R HTR1A 4/4885HTR2A 5/4885HTR2C 1/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D HTR1A 2/4885HTR2A 6/4885HTR2C 1/4885
US-20080200541-A1 Benzofuranyl Alkanamine Derivatives and Uses Thereof HTR2C, HTR1A, HTR3A HTR1A 2/4885HTR2A 4/4885HTR2C 1/4885
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D HTR1A 1/4885HTR2A 9/4885HTR2C 2/4885

“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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