SCHEMBL4331085

SCHEMBL4331085

O=C1CCN(c2ccccc2)C12CCNCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.59
USP2 O75604 7/20 0.46
CYP2D6 P10635 7/20 0.46
TSHR P16473 5/20 0.44
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 5/20 0.42
TP53 P04637 5/20 0.42
CYP1A2 P05177 5/20 0.42
MAPK1 P28482 4/20 0.42
CYP2C19 P33261 3/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HIF1A Q16665 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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 SCHEMBL8093116 0.82 OPRM1 (0.47) HSD17B10SIGMAR1DDB1CRBNOPRM1
SCHEMBL15446972 0.81 BDKRB2 (0.51) TSHRSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL219618 0.74 HSD17B10 (1.00) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL7587764 0.74 HSD17B10 (1.00) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL4355371 0.73 HSD17B10 (0.57) HSD17B10USP2CYP2D6TSHRALDH1A1
Hydrochloric Acid SCHEMBL6160546 0.73 HSD17B10 (0.97) HSD17B10OPRM1OPRD1OPRK1OPRL1
Ammonia Solution, Strong SCHEMBL1764035 0.73 HSD17B10 (0.97) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL20187016 0.73 HSD17B10 (0.57) HSD17B10USP2CYP2D6TSHRDDB1
Hydrochloric Acid SCHEMBL7013712 0.73 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1
SCHEMBL3067132 0.72 OPRL1 (0.61) HSD17B10USP2CYP2D6TSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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 (1 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A HSD17B10 2056/4885USP2 3668/4885CYP2D6 2016/4885

“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.