SCHEMBL1444940

SCHEMBL1444940

c1ccc2c(c1)CCc1c(cccc1N1CCNCC1)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
HTR7 P34969 3/20 0.49
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
MTOR P42345 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL21995763 0.89 ADRB1 (0.52) HTR6HTR7HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL21995940 0.87 LMNA (0.53) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL2348878 0.79 ADRB1 (0.53) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL30839762 0.79 ADRB1 (0.53) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL4688382 0.79 ADRB1 (0.53) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL21744394 0.78 HTR2C (0.54) HTR6HTR7HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL5247444 0.78 ADRB1 (0.51) HTR6HTR7HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL30183267 0.78 ADRB1 (0.51) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL5371599 0.78 ADRB1 (0.51) HTR6HTR7HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL8572545 0.78 ADRB1 (0.51) HTR6HTR7HTR1AHTR2AHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881841-B2 Dibenzosuberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives Takeuchi, Tsutomu (JP) 2005-04-19 US claimed
US-20040029895-A1 Dibenzosberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives TAKAYANAGI, HIROAKI (JP) 2004-02-12 US claimed
EP-1336608-A1 DIBENZOSBERANYL PIPERAZINE DERIVATIVES AND DRUG-RESISTANCE OVERCOMING AGENTS CONTAINING THE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-08-20 EP claimed
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF STATE UNIVERSITY (US) 2013-11-21 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF Board of Higher Education on behalf of Portland State University 2011-10-20 US disclosed
US-7968539-B2 reversed chloroquines; to treat chloroquine resistant/sensitive malaria parasites; N'-(7-Chloro-quinolin-4-yl)-N-[3-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-propyl]-N-methyl-propane-1,3-diamine STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2011-06-28 US disclosed
WO-2011034971-A1 MODIFIED FLUOROQUINOLONE COMPOUNDS AND METHODS OF USING THE SAME DESIGNMEDIX, INC. (US) 2011-03-24 WO disclosed
EP-1336608-A4 DIBENZOSBERANYL PIPERAZINE DERIVATIVES AND DRUG-RESISTANCE OVERCOMING AGENTS CONTAINING THE DERIVATIVES POLA CHEM IND INC (JP) 2009-03-25 EP disclosed
US-20080214570-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-09-04 US disclosed
WO-2002042284-A1 DIBENZOSBERANYL PIPERAZINE DERIVATIVES AND DRUG-RESISTANCE OVERCOMING AGENTS CONTAINING THE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2002-05-30 WO disclosed
EP-0603404-B1 PROCESS FOR PRODUCING GLYCIDE DERIVATIVE MITSUI CHEMICALS INC (JP) 1999-03-17 EP disclosed
US-5463061-A Process for production of glycide derivative MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-10-31 US disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
EP-0603404-A1 PROCESS FOR PRODUCING GLYCIDE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-29 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (4 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-20040029895-A1 Dibenzosberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives ABCC1, ABCB1, SLC11A2 HTR6 2144/4885HTR7 2579/4885HTR1A 3114/4885
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 HTR6 2562/4885HTR7 1788/4885HTR1A 3288/4885
US-20080214570-A1 Therapeutic Agents NLN, BDNF, GAP43 HTR6 95/4885HTR7 335/4885HTR1A 244/4885
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 HTR6 2562/4885HTR7 1788/4885HTR1A 3288/4885

“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.