SCHEMBL4404041

SCHEMBL4404041

O=NCCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
CYP3A4 P08684 2/20 0.61
HTR2C P28335 2/20 0.61
HTR6 P50406 2/20 0.61
CYP1A2 P05177 2/20 0.61
MPO P05164 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2A6 P11509 1/20 0.61
NFKB1 P19838 1/20 0.61
HTR1D P28221 1/20 0.61
HTR1B P28222 1/20 0.61
HTR7 P34969 1/20 0.61
CTSK P43235 1/20 0.61
CYP2A13 Q16696 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
PMP22 Q01453 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
AHR P35869 1/20 0.58

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
SCHEMBL4985934 0.82 HTR2A (0.77) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL5598639 0.82 HTR2A (0.61) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL13668031 0.82 HTR2A (0.61) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL28313348 0.81 HTR2A (0.56) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL12949464 0.81 HTR2A (0.56) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL5513682 0.79 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL14270220 0.79 HTR2A (0.57) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL31201415 0.79 HTR2A (0.57) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL5513944 0.79 MAPT (0.57) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL21377613 0.79 HTR2A (0.53) HTR2ACYP3A4HTR2CHTR6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US claimed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US claimed
CN-122079853-A N-substituted indoles and other heterocyclic compounds for the treatment of brain diseases 2026-05-26 CN disclosed
CN-113786407-B Organic compound 细胞内治疗公司 2024-05-24 CN disclosed
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 US disclosed
WO-2016023106-A1 BIS-INDOLE ALKALOIDS FOR USE IN THE TREATMENT OF INFECTIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-02-18 WO disclosed
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US disclosed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US disclosed
EP-1653948-A2 USE OF 5-METHOXYTRYPTAMINE AS A CARDIOPROTECTIVE AGENT Dabur Research Foundation (IN) 2006-05-10 EP disclosed
WO-2005009419-A2 USE OF 5-METHOXYTRYPTAMINE AS A CARDIOPROTECTIVE AGENTS DABUR RESEARCH FOUNDATION (IN) 2005-02-03 WO disclosed
US-6841685-B2 Methods for making bis-heterocyclic alkaloids STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2005-01-11 US disclosed
US-20030232988-A1 Methods for making bis-heterocyclic alkaloids STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY,THE 2003-12-18 US disclosed
EP-1089723-A4 THERAPEUTIC METHODS EMPLOYING DISULFIDE DERIVATIVES OF DITHIOCARBAMATES AND COMPOSITIONS USEFUL THEREFOR MEDINOX INC (US) 2003-07-16 EP disclosed
WO-2001094310-A1 METHODS FOR MAKING BIS-HETEROCYCLIC ALKALOIDS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2001-12-13 WO disclosed
EP-1089723-A1 THERAPEUTIC METHODS EMPLOYING DISULFIDE DERIVATIVES OF DITHIOCARBAMATES AND COMPOSITIONS USEFUL THEREFOR Medinox, Inc. (US) 2001-04-11 EP disclosed
WO-1999066918-A1 THERAPEUTIC METHODS EMPLOYING DISULFIDE DERIVATIVES OF DITHIOCARBAMATES AND COMPOSITIONS USEFUL THEREFOR MEDINOX, INC. (US) 1999-12-29 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 (3 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-20030232988-A1 Methods for making bis-heterocyclic alkaloids CIAPIN1, AAAS, MDN1 HTR2A 2569/4885CYP3A4 3322/4885HTR2C 1903/4885
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE INMT, GNMT, HTR5A HTR2A 34/4885CYP3A4 454/4885HTR2C 6/4885
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 HTR2A 1445/4885CYP3A4 3526/4885HTR2C 1925/4885

“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.