Sugi Predict

Sugi Predict / Compounds / SCHEMBL906008

SCHEMBL906008

SCHEMBL906008

Clc1cccc(COc2nccc(N3CCNCC3)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.57
▸ HTR3E A5X5Y0 1/20 0.57
▸ HTR3B O95264 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HTR3D Q70Z44 1/20 0.57
▸ HTR3C Q8WXA8 1/20 0.57
▸ NMT1 P30419 4/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ RXRA P19793 6/20 0.43
▸ GRIN1 Q05586 6/20 0.43
▸ GRIN2B Q13224 6/20 0.43
▸ HRH4 Q9H3N8 3/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ CHRM4 P08173 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40

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
SCHEMBL905970 0.86 HRH3 (0.46) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL905817 0.84 NMT1 (0.56) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL6783430 0.82 HTR3A (0.47) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL906027 0.80 HTR2C (0.64) HTR3AHTR2AHTR2CHTR2BCHRM4
SCHEMBL6785522 0.80 HTR3E (0.46) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL906097 0.80 HTR2C (0.52) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL906132 0.79 HTR1A (0.53) HTR3AHTR3EHTR3BALDH1A1HTR3D
Hydrochloric Acid SCHEMBL27621036 0.79 HTR2C (0.51) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL905754 0.78 HTR2C (0.50) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL906149 0.78 HTR2C (0.67) HTR3AHTR3EHTR3BALDH1A1HTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 — — US claimed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 — — US claimed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 — — 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-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-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 — — US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 — — US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 — — WO disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 — — EP disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 — — EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 — — 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
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 — — 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 HTR3A 6/4885HTR3E 16/4885HTR3B 10/4885
US-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR3A 6/4885HTR3E 16/4885HTR3B 10/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR3A 5/4885HTR3E 17/4885HTR3B 12/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR3A 7/4885HTR3E 13/4885HTR3B 5/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR3A 7/4885HTR3E 13/4885HTR3B 5/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR3A 6/4885HTR3E 16/4885HTR3B 10/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR3A 5/4885HTR3E 17/4885HTR3B 12/4885

“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.