SCHEMBL64200

SCHEMBL64200

NCCc1cc(CCN)cc(CCN)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 14/20 0.53
HTR2A P28223 3/20 0.53
CYP2A6 P11509 2/20 0.53
LOXL2 Q9Y4K0 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ADRA2A P08913 3/20 0.48
SLC6A2 P23975 3/20 0.48
DRD2 P14416 3/20 0.48
DRD1 P21728 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTR1A P08908 2/20 0.48
MAPT P10636 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
MAPK1 P28482 2/20 0.48
DRD3 P35462 2/20 0.48

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
SCHEMBL17050031 0.87 TAAR1 (0.43) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL15805935 0.85 TAAR1 (0.42) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL8337999 0.85 TAAR1 (0.64) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL537203 0.85 TAAR1 (0.60) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL207150 0.85 TAAR1 (0.44) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL28837338 0.85 TAAR1 (0.44) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
Hydrochloric Acid SCHEMBL5374338 0.83 TAAR1 (0.42) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL659100 0.81 TAAR1 (0.70) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL18469205 0.81 TAAR1 (0.43) TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2
SCHEMBL7435676 0.79 MAOA (0.48) HTR2ACYP2A6CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116019933-A Nano material for starvation treatment combined copper death as well as preparation method and application thereof 南京邮电大学 2023-04-28 CN claimed
CN-116019933-A Nano material for starvation treatment combined copper death as well as preparation method and application thereof 南京邮电大学 2023-04-28 CN disclosed
US-9665069-B2 Electric generator device, timepiece movement, and timepiece ASAHI GLASS COMPANY, LIMITED (JP) 2017-05-30 US disclosed
US-9586907-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-07 US disclosed
US-20160170377-A1 ELECTRIC GENERATOR DEVICE, TIMEPIECE MOVEMENT, AND TIMEPIECE ASAHI GLASS COMPANY, LIMITED (JP) 2016-06-16 US disclosed
EP-2916449-A1 VIBRATORY GENERATOR DEVICE AND POWER SOURCE MODULE Asahi Glass Company, Limited (JP) 2015-09-09 EP disclosed
US-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-09-03 US disclosed
US-20150236619-A1 VIBRATORY GENERATOR DEVICE AND POWER SOURCE MODULE ASAHI GLASS COMPANY, LIMITED (JP) 2015-08-20 US disclosed
CN-104769833-A Vibratory generator device and power source module ASAHI GLASS CO LTD 2015-07-08 CN disclosed
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
EP-2104662-A2 CHELATING AGENTS GE Healthcare AS (NO) 2009-09-30 EP disclosed
WO-2008085064-A2 HYDROXYPYRIDINONE CHELATING AGENTS, THEIR METAL COMPLEXES AND THEIR USE AS MRI CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-07-17 WO disclosed
US-6063819-A PROTECTING NEURONS FROM DAMAGE BY ADMINISTERING TO HUMANS POLYGUADINO COMPOUNDS CYPROS PHARMACEUTICAL CORP. (US) 2000-05-16 US disclosed
EP-0856542-A1 Polyolefin polymer with good mechanical properties DSM N.V. (NL) 1998-08-05 EP disclosed
EP-0856545-A1 Polyolefin polymer with high molecular weight DSM N.V. (NL) 1998-08-05 EP disclosed
EP-0707611-B1 PROCESS FOR THE PREPARATION OF A DENDRITIC MACROMOLECULE DSM NV (NL) 1997-09-10 EP disclosed
EP-0707611-A1 PROCESS FOR THE PREPARATION OF A DENDRITIC MACROMOLECULE DSM NV (NL) 1996-04-24 EP disclosed
WO-1995002008-A1 PROCESS FOR THE PREPARATION OF A DENDRITIC MACROMOLECULE DSM N.V. (NL) 1995-01-19 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-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 TAAR1 3233/4885HTR2A 4229/4885CYP2A6 2211/4885
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 TAAR1 3233/4885HTR2A 4229/4885CYP2A6 2211/4885

“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.