SCHEMBL30073

SCHEMBL30073

O=C(OCc1ccccc1)N1CCCC1Cc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.58
GABRG2 P18507 3/20 0.58
GABRB3 P28472 3/20 0.58
GABRA3 P34903 3/20 0.58
GABRA2 P47869 3/20 0.58
GABRB2 P47870 3/20 0.58
HTR6 P50406 4/20 0.56
MC5R P33032 3/20 0.52
MC3R P41968 1/20 0.52
MC1R Q01726 1/20 0.52
HTR2A P28223 1/20 0.50
CYP2C19 P33261 1/20 0.49
DNMT1 P26358 2/20 0.48
TACR1 P25103 1/20 0.48
TACR3 P29371 1/20 0.48
TACR2 P21452 1/20 0.47

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
SCHEMBL8790234 1.00 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30072 1.00 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8791242 0.97 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8875340 0.88 UTS2R (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30446285 0.88 HTR2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL838920 0.88 HTR2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8542318 0.88 UTS2R (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9973149 0.88 HTR2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8789702 0.87 HTR1A (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8789694 0.87 HTR1A (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2

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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-6465500-B1 PSYCHOTHERAPEUTICS; DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, CLUSTER HEADACHE, MIGRAINE, PAIN, CHRONIC PAROXYSMAL HEMICRANIA, HEADACHE ASSOCIATED WITH VASCULAR DISORDERS; ANTIHYPERTENSIVES, VASODILATORS PFIZER INC. 2002-10-15 US disclosed
US-6436957-B1 DISORDERS FROM DEFICIENT SEROTONERGIC NEUROTRANSMISSION; 3-PYRROLIDIN-2-YLMETHYL-1H-INDOLES PFIZER INC. 2002-08-20 US disclosed
US-6410739-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC 2002-06-25 US disclosed
EP-0629199-B1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS PFIZER (US) 2002-06-05 EP disclosed
US-6387937-B1 ANTISEROTONINE AGENT; HEADACHES PFIZER INC. 2002-05-14 US disclosed
US-6387941-B1 ANTISEROTONINE AGENTS PFIZER INC. 2002-05-14 US disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
US-5594014-A Indole derivatives as 5-HT1 agonists PFIZER INC (US) 1997-01-14 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 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-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-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-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1993020073-A1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS PFIZER INC. (US) 1993-10-14 WO disclosed
WO-1993018032-A1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS PFIZER INC. (US) 1993-09-16 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 (2 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 GABRA1 2169/4885GABRG2 2437/4885GABRB3 2092/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 GABRA1 2071/4885GABRG2 2490/4885GABRB3 2041/4885

“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.