SCHEMBL2109825

SCHEMBL2109825

COc1ccc(N2CCN(CCCl)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.73
HSD17B10 Q99714 1/20 0.68
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SOD1 P00441 1/20 0.58
HTR1A P08908 4/20 0.57
HTR7 P34969 2/20 0.54
HTR2A P28223 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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 SCHEMBL11456534 0.98 DRD2 (0.71) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL10994325 0.90 HSD17B10 (0.73) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL14739618 0.85 DRD2 (0.76) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL5915124 0.85 DRD2 (1.00) DRD2HSD17B10MEN1KMT2ASOD1
Hydrochloric Acid SCHEMBL11218267 0.83 DRD2 (0.97) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL9559845 0.83 DRD2 (0.73) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL19099996 0.83 DRD2 (0.73) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL4251574 0.83 HSD17B10 (0.82) DRD2HSD17B10MEN1KMT2ASOD1
SCHEMBL12611886 0.83 DRD2 (0.53) DRD2HSD17B10HTR1AHTR2ASIGMAR1
SCHEMBL18937451 0.82 DRD2 (0.82) DRD2HSD17B10MEN1KMT2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 US disclosed
CN-101917987-A ALDH-2 inhibitors for the treatment of psychotic disorders CV THERAPEUTICS INC 2010-12-15 CN disclosed
EP-2254878-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION Gilead Palo Alto, Inc. (US) 2010-12-01 EP disclosed
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP disclosed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US disclosed
WO-2009094028-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-07-30 WO disclosed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO disclosed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US disclosed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO disclosed
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US 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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 DRD2 190/4885HSD17B10 35/4885MEN1 4731/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 DRD2 190/4885HSD17B10 35/4885MEN1 4731/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 DRD2 128/4885HSD17B10 36/4885MEN1 4719/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 DRD2 701/4885HSD17B10 29/4885MEN1 4731/4885

“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.