SCHEMBL7654287

SCHEMBL7654287

O=C(CCCN1Cc2ccccc2C1)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.68
KDM4E B2RXH2 1/20 0.68
DRD2 P14416 15/20 0.64
HTR1A P08908 14/20 0.64
HTR7 P34969 13/20 0.64
DRD3 P35462 13/20 0.64
HTR2A P28223 13/20 0.64
HTR2B P41595 10/20 0.64
HRH1 P35367 9/20 0.64
SLC6A4 P31645 5/20 0.64
HTR2C P28335 7/20 0.55
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PLOD2 O00469 1/20 0.50
PLOD3 O60568 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7647706 0.91 HTR1A (0.81) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL7648768 0.85 HTR1A (0.60) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL7647941 0.82 KDM4E (0.97) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL20358752 0.78 HTR1A (1.00) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL7654315 0.78 KDM4E (0.66) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL7651823 0.77 HSD17B10 (0.61) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL7647215 0.77 HTR1A (0.75) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL8173314 0.76 HSD17B10 (0.71) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL7651660 0.75 ALDH1A1 (0.57) HSD17B10KDM4EDRD2HTR1AHTR7
SCHEMBL9633626 0.75 HTR1A (0.77) KDM4EDRD2HTR1AHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US claimed
US-6486173-B2 SEROTONIN-7 (5-HT7); TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SLEEP DISORDERS, DEPRESSION AND SCHIZOPHRENIA; FOR EXAMPLE 1,3-DIHYDRO-2-((4-(4-FLUOROPHENYL)-4-OXOBUTYL))ISOINDOLE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US disclosed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 US disclosed
WO-2000000472-A1 5-HT7 RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 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-20010041714-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A HSD17B10 2715/4885KDM4E 3671/4885DRD2 100/4885

“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.