SCHEMBL906199

SCHEMBL906199

COc1cccc(COc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.51
▸ ADRB1 P08588 2/20 0.50
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ HTR1A P08908 2/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ FPR3 P25089 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ DRD3 P35462 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
SCHEMBL905954 0.90 KDM4E (0.51) HTR6ADRB1SLC6A2SLC6A4HTR2A
SCHEMBL5585318 0.89 HTR2A (0.45) HTR6ADRB1SLC6A2SLC6A4HTR2A
SCHEMBL5585311 0.87 PIM1 (0.52) ADRB1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL906110 0.85 PRMT5 (0.56) HTR6ADRB1SLC6A2SLC6A4HTR2A
SCHEMBL906027 0.85 HTR2C (0.64) HTR6ADRB1HTR2AHTR2CHTR2B
SCHEMBL906132 0.84 HTR1A (0.53) HTR6ADRB1SLC6A2SLC6A4HTR2A
SCHEMBL5585635 0.84 HTR3A (0.48) HTR6ADRB1SLC6A2SLC6A4HTR2A
SCHEMBL5585277 0.82 ADRB1 (0.54) HTR6ADRB1SLC6A4HTR2AHTR2C
SCHEMBL3270224 0.80 HTR2C (0.73) HTR6ADRB1SLC6A2SLC6A4HTR2A
SCHEMBL905754 0.79 HTR2C (0.50) HTR6ADRB1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 — — US claimed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 — — EP claimed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 — — US claimed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 — — WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 — — US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 — — EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 — — US disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 — — US disclosed
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 — — US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 — — EP disclosed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 — — US disclosed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 — — US disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 — — EP disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 — — US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 — — EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 — — US disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 — — US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 — — WO disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 — — US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 — — 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 (7 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-20050032809-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR6 9/4885ADRB1 104/4885SLC6A2 67/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR6 8/4885ADRB1 91/4885SLC6A2 74/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885ADRB1 29/4885SLC6A2 36/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885ADRB1 29/4885SLC6A2 36/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR6 9/4885ADRB1 104/4885SLC6A2 67/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR6 1569/4885ADRB1 275/4885SLC6A2 2442/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR6 1569/4885ADRB1 275/4885SLC6A2 2442/4885

“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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