SCHEMBL7097372

SCHEMBL7097372

CN1CCC[C@@H]1Cc1c[nH]c2ccc(CS(N)(=O)=O)cc12

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.77
HTR1D P28221 5/20 0.77
HTR1A P08908 3/20 0.68
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
CHRM1 P11229 1/20 0.68
DRD1 P21728 1/20 0.68
SLC6A2 P23975 1/20 0.68
OPRM1 P35372 1/20 0.68
SLC6A3 Q01959 1/20 0.68
HRH3 Q9Y5N1 1/20 0.68
HTR6 P50406 10/20 0.64

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
SCHEMBL7097373 1.00 HTR1B (0.77) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789502 0.91 HTR1B (0.76) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789497 0.91 HTR1B (0.76) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8984140 0.89 HTR1B (0.74) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7103416 0.87 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7103413 0.87 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL29391208 0.87 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8790004 0.86 HTR1B (0.80) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8790009 0.86 HTR1B (0.80) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789654 0.86 HTR1B (0.68) HTR1BHTR1DHTR1ACHRM2ADRA2A

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
EP-0804433-B1 INDOLE DERIVATIVE FOR THE TREATMENT OF MIGRAINE PFIZER LTD (GB) 2002-09-18 EP claimed
US-5945118-A Indole derivative for the treatment of migraine PFIZER INC (US) 1999-08-31 US claimed
US-5618834-A Indole derivatives in the treatment of emesis PFIZER INC. (US) 1997-04-08 US claimed
EP-0714659-A2 Indole derivatives in the treatment of emesis Pfizer Limited (GB) 1996-06-05 EP claimed
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-0804433-B1 INDOLE DERIVATIVE FOR THE TREATMENT OF MIGRAINE PFIZER LTD (GB) 2002-09-18 EP disclosed
EP-0804433-B1 INDOLE DERIVATIVE FOR THE TREATMENT OF MIGRAINE PFIZER LTD (GB) 2002-09-18 EP disclosed
EP-0785781-B1 USE OF INDOLE DERIVATIVES FOR THE TREATMENT OF DERMATOLOGICAL DISORDERS PERIPHERAL NEUROPATHIED, ARTHRITIS, ALLERGIC OR CHRONIC OBSTRUCTIVE AIRWAYS DISEASE, GLAUCOMA AND OCULAR INFLAMMATION PFIZER LTD (GB) 2001-12-19 EP disclosed
US-5945118-A Indole derivative for the treatment of migraine PFIZER INC (US) 1999-08-31 US disclosed
US-5945118-A Indole derivative for the treatment of migraine PFIZER INC (US) 1999-08-31 US disclosed
EP-0804433-A1 INDOLE DERIVATIVE FOR THE TREATMENT OF MIGRAINE Pfizer Limited (GB) 1997-11-05 EP disclosed
US-5618834-A Indole derivatives in the treatment of emesis PFIZER INC. (US) 1997-04-08 US disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 US disclosed
US-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 US disclosed
EP-0714659-A2 Indole derivatives in the treatment of emesis Pfizer Limited (GB) 1996-06-05 EP disclosed
WO-1996011923-A1 INDOLE DERIVATIVE FOR THE TREATMENT OF MIGRAINE PFIZER LIMITED (GB) 1996-04-25 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 198/4885HTR1A 97/4885

“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.