SCHEMBL1011463

SCHEMBL1011463

COc1cc2c(cc1O)CCNC2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
MAOA P21397 4/20 0.53
CYP2D6 P10635 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ADCY6 O43306 1/20 0.52
ADCY3 O60266 1/20 0.52
ADCY9 O60503 1/20 0.52
ADCY5 O95622 1/20 0.52
ADCY8 P40145 1/20 0.52
ADCY7 P51828 1/20 0.52
ADCY2 Q08462 1/20 0.52
ADCY1 Q08828 1/20 0.52
ADCY4 Q8NFM4 1/20 0.52
DRD1 P21728 4/20 0.50
DRD5 P21918 4/20 0.50
CHRNA7 P36544 1/20 0.50

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
SCHEMBL32690214 1.00 HTR2A (0.53) HTR2AHTR2CHTR2BMAOACYP2D6
SCHEMBL29702351 1.00 HTR2A (0.53) HTR2AHTR2CHTR2BMAOACYP2D6
SCHEMBL3505675 1.00 HTR2A (0.53) HTR2AHTR2CHTR2BMAOACYP2D6
Hydrochloric Acid SCHEMBL5600419 0.98 MAOA (0.54) HTR2AHTR2CHTR2BMAOACYP2D6
Hydrochloric Acid SCHEMBL5600142 0.98 MAOA (0.54) HTR2AHTR2CHTR2BMAOACYP2D6
SCHEMBL8794833 0.87 CHRNA7 (0.49) MAOACYP2D6HSD17B10ALDH1A1DRD1
SCHEMBL29788066 0.87 HTR2A (0.61) HTR2AHTR2CHTR2BMAOA
SCHEMBL329913 0.87 HTR2A (0.61) HTR2AHTR2CHTR2BMAOA
Hydrochloric Acid SCHEMBL915156 0.85 HTR2A (0.59) HTR2AHTR2CHTR2BMAOA
Hydrochloric Acid SCHEMBL7075718 0.84 HTR2A (0.58) HTR2AHTR2CHTR2BMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308059-B1 1,2,3,4-TETRAHYDROISOQUINOLINE ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1992-09-09 EP claimed
EP-0308059-A1 1,2,3,4-Tetrahydroisoquinoline antiarrhythmic agents Pfizer Limited (GB) 1989-03-22 EP claimed
CN-115872985-B 1,2,3, 4-Tetrahydroisoquinoline-thiophene derivative and preparation method thereof 赣江中药创新中心 2025-01-14 CN disclosed
CN-115872985-A 1,2,3, 4-tetrahydroisoquinoline-thiophene derivative and preparation method thereof 赣江中药创新中心 2023-03-31 CN disclosed
EP-2714682-B1 NOVEL TETRAHYDROISOQUINOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS AND TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITÀ DEGLI STUDI DI BARI ALDO MORO (IT) 2016-03-16 EP disclosed
US-9095631-B2 Tetrahydroisoquinoline compounds for use in the diagnosis and treatment of neurodegenerative diseases UNIVERSITA DEGLI STUDI DI BARI “ALDO MORO” (IT) 2015-08-04 US disclosed
US-20140112868-A1 NOVEL TETRAHYDROISOQUINOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS AND TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITA' DEGLI STUDI DI BARI "ALDO MORO" (IT) 2014-04-24 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
US-5561141-A POTENTIATE ACTIVITY OF ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1996-10-01 US disclosed
US-5550149-A SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO disclosed
US-5387685-A MDR reversal agents AMERICAN CYANAMID COMPANY 1995-02-07 US disclosed
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 EP disclosed
EP-0308059-B1 1,2,3,4-TETRAHYDROISOQUINOLINE ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1992-09-09 EP disclosed
US-4965360-A Tetrahydroisoquinoline compounds PFIZER INC. (US) 1990-10-23 US disclosed
US-4882337-A Tetrahydroisoquinoline antiarrhythmic agents PFIZER INC. (US) 1989-11-21 US disclosed
EP-0308059-A1 1,2,3,4-Tetrahydroisoquinoline antiarrhythmic agents Pfizer Limited (GB) 1989-03-22 EP 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-20140112868-A1 NOVEL TETRAHYDROISOQUINOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS AND TREATMENT OF NEURODEGENERATIVE DISEASES ABCB1, ABCG2, ABCC2 HTR2A 479/4885HTR2C 789/4885HTR2B 714/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 HTR2A 133/4885HTR2C 50/4885HTR2B 106/4885

“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.