SCHEMBL7079772

SCHEMBL7079772

C=C(c1ccc2c(c1)c(CC1CCCN1C)cn2C(C)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.53
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1B P28222 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8875999 1.00 HTR6 (0.53) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL6180265 0.81 HTR6 (0.53) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL1067208 0.81 CHRM2 (0.64) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL1067210 0.81 CHRM2 (0.64) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL722273 0.80 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL1697440 0.80 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL773348 0.80 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL774709 0.80 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL5647758 0.79 HTR6 (0.66) HTR6CHRM2HTR1AADRA2ACHRM1
Bromide SCHEMBL505857 0.79 HTR6 (0.65) HTR6CHRM2HTR1AADRA2ACHRM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1199969-C New process for the preparation of the anti-migraine drug PFIZER LTD (US) 2005-05-04 CN disclosed
CN-1487932-A New process for the preparation of the anti-migraine drug 2004-04-07 CN disclosed
US-20030166704-A1 New process PFIZER INC. 2003-09-04 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

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-20030166704-A1 New process TFPI, HTR4, HTR5A HTR6 20/4885CHRM2 803/4885HTR1A 19/4885

“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.