SCHEMBL5872618

SCHEMBL5872618

O=C1Nc2ccc(Cl)cc2N2CCNCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 1.00
HTR2A P28223 7/20 0.71
ALDH1A1 P00352 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
HTR2B P41595 6/20 0.49
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5872615 1.00 HTR2C (1.00) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7053381 0.99 HTR2C (0.97) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7053385 0.99 HTR2C (0.97) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL11455825 0.89 HTR2C (0.81) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL11445441 0.85 HTR2C (0.74) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL11454097 0.84 HTR2C (0.72) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL255572 0.83 HTR2C (1.00) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL29391309 0.83 HTR2C (1.00) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL5872568 0.83 HTR2C (1.00) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL905974 0.83 HTR2C (1.00) HTR2CHTR2AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706714-B2 USEFUL FOR THE TREATMENT OF DISORDERS INVOLVING THE CENTRAL NERVOUS SYSTEM SUCH AS OBSESSIVE-COMPULSIVE DISORDER, DEPRESSION, ANXIETY, SCHIZOPHERNIA, MIGRAINE, SLEEP OR EATING DISORDER, OBESITY, TYPE II DIABETES AND EPILEPSY WYETH CORP (US) 2004-03-16 US claimed
US-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives WYETH (US) 2003-03-27 US claimed
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US claimed
US-4089958-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-16 US claimed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US claimed
US-7098338-B2 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives WYETH (US) 2006-08-29 US disclosed
US-20040116437-A1 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives WYETH (US) 2004-06-17 US disclosed
US-6706714-B2 USEFUL FOR THE TREATMENT OF DISORDERS INVOLVING THE CENTRAL NERVOUS SYSTEM SUCH AS OBSESSIVE-COMPULSIVE DISORDER, DEPRESSION, ANXIETY, SCHIZOPHERNIA, MIGRAINE, SLEEP OR EATING DISORDER, OBESITY, TYPE II DIABETES AND EPILEPSY WYETH CORP (US) 2004-03-16 US disclosed
US-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives WYETH (US) 2003-03-27 US disclosed
US-6476032-B2 5HT2C RECEPTOR AGONISTS TO TREAT SCHIZOPHRENIA AND CENTRAL NERVOUS SYSTEM DISORDERS; OBSESSIVE-COMPULSIVE DISORDER; ANTIDEPRESSANTS, MIGRAINE; SLEEP DISORDERS; EATING DISORDERS; OBESITY; ANTIDIABETIC, -EPILEPTIC AND ANXIOLYTIC AGENTS WYETH 2002-11-05 US disclosed
US-6372745-B1 TREATMENT OF OBESITY IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION 2002-04-16 US disclosed
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
US-4182872-A CORRESPONDING 4-CARBOBENZOXY COMPOUNDS, 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)-ONES, 2,3,4,4A,5,6-HEXAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALINES, HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4182869-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4138567-A HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1979-02-06 US disclosed
US-4089958-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-16 US disclosed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 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 (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-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives NPY2R, HCRTR2, HTR2C HTR2C 3/4885HTR2A 10/4885ALDH1A1 1969/4885
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives HTR2C, HTR3C, NPY2R HTR2C 1/4885HTR2A 5/4885ALDH1A1 2135/4885

“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.