SCHEMBL3453744

SCHEMBL3453744

CC(=O)c1cccc(N2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.58
HTR7 P34969 4/20 0.58
HTR1A P08908 3/20 0.58
HTR3E A5X5Y0 3/20 0.58
HTR3B O95264 3/20 0.58
HTR3A P46098 3/20 0.58
HTR3D Q70Z44 3/20 0.58
HTR3C Q8WXA8 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
HTR2C P28335 3/20 0.58
HTR6 P50406 2/20 0.58
THRB P10828 2/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL4713477 0.98 ADRB1 (0.57) ADRB1HTR7HTR1AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL2326391 0.90 ALDH1A1 (0.52) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL117252 0.85 ALDH1A1 (0.73) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL30966888 0.85 ALDH1A1 (0.73) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL3868910 0.85 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL31107600 0.85 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL11738763 0.85 ALDH1A1 (0.72) TP53HTTALDH1A1HSD17B10USP2
SCHEMBL15579368 0.84 ADRB1 (0.58) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL3072477 0.84 ADRB1 (0.58) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6503848 0.84 ADRB1 (0.58) ADRB1HTR7HTR1AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-20110155660-A1 MODIFIED MEMBRANE DOW GLOBAL TECHNOLOGIES LLC 2011-06-30 US disclosed
US-20110155660-A1 MODIFIED MEMBRANE DOW GLOBAL TECHNOLOGIES LLC 2011-06-30 US disclosed
US-7882963-B2 modifying polyamide discriminating layer ( e.g metaphenylene diamine- trimesoyl chloride monomers) with aminoacetophenone or aminothiophenol; fouling resistant surface, improved salt rejection, antimicrobial properties, improved solute, and/or small organics rejection; for water purification DOW GLOBAL TECHNOLOGIES INC. (US) 2011-02-08 US disclosed
US-7882963-B2 modifying polyamide discriminating layer ( e.g metaphenylene diamine- trimesoyl chloride monomers) with aminoacetophenone or aminothiophenol; fouling resistant surface, improved salt rejection, antimicrobial properties, improved solute, and/or small organics rejection; for water purification DOW GLOBAL TECHNOLOGIES INC. (US) 2011-02-08 US disclosed
EP-1428822-B1 1-phenylpiperazine derivative as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-15 EP disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-20090159527-A1 MODIFIED MEMBRANE DOW GLOBAL TECHNOLOGIES LLC 2009-06-25 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 WO disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1998002432-A1 BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-22 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-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 ADRB1 142/4885HTR7 233/4885HTR1A 90/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ADRB1 34/4885HTR7 24/4885HTR1A 16/4885

“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.