SCHEMBL7104625

SCHEMBL7104625

CNS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCN3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.65
HTR1D P28221 3/20 0.65
HTR6 P50406 18/20 0.60
HTR1A P08908 3/20 0.60
HTR2C P28335 3/20 0.60
HTR1F P30939 3/20 0.60
HTR7 P34969 2/20 0.60
HTR2A P28223 1/20 0.58
HTR1E P28566 1/20 0.58
HTR2B P41595 1/20 0.58
HTR3A P46098 1/20 0.58
HTR5A P47898 1/20 0.58
SLC47A1 Q96FL8 1/20 0.58

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
SCHEMBL7104621 1.00 HTR1B (0.65) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8790532 0.97 HTR1B (0.64) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8790536 0.97 HTR1B (0.64) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8789339 0.91 HTR6 (0.56) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8789329 0.91 HTR6 (0.56) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8874424 0.85 HTR6 (0.62) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8874433 0.85 HTR6 (0.62) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8699573 0.83 HTR6 (0.64) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8699581 0.83 HTR6 (0.64) HTR1BHTR1DHTR6HTR1AHTR2C
SCHEMBL8789718 0.82 HTR6 (0.56) HTR1BHTR1DHTR6HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696194-B1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER (US) 2002-08-21 EP claimed
EP-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 EP claimed
US-5618834-A Indole derivatives in the treatment of emesis PFIZER INC. (US) 1997-04-08 US claimed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US claimed
EP-0714659-A2 Indole derivatives in the treatment of emesis Pfizer Limited (GB) 1996-06-05 EP claimed
EP-0696194-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1996-02-14 EP claimed
WO-1994025023-A9 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS 1995-10-05 WO claimed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO claimed
CN-1515252-A Application of indole derivative as SHTI excitomotor 2004-07-28 CN disclosed
CN-1515252-A Application of indole derivative as SHTI excitomotor 2004-07-28 CN disclosed
CN-1509713-A Indole derivative use as 5HT1 antagonist agent 2004-07-07 CN disclosed
CN-1509713-A Indole derivative use as 5HT1 antagonist agent 2004-07-07 CN disclosed
US-20030055098-A1 Method of treatment PFIZER INC. 2003-03-20 US disclosed
US-6455567-B1 TREATING DERMATOLOGICAL DISORDERS BY ADMINISTERING A 3-(PYRROLIDIN-2-YLMETHYL)-5-(AMINOSULFONYLMETHYL)INDOLE PFIZER INC. 2002-09-24 US disclosed
EP-0696194-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1996-02-14 EP disclosed
WO-1994025023-A9 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS 1995-10-05 WO disclosed
WO-1994025023-A9 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS 1995-10-05 WO disclosed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO disclosed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 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 (1 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-20030055098-A1 Method of treatment HRH2, CNR2, HRH1 HTR1B 155/4885HTR1D 198/4885HTR6 82/4885

“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.