SCHEMBL7651660

SCHEMBL7651660

O=C(CCCN1Cc2ccccc2C1)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
CASP1 P29466 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 3/20 0.56
HSD17B10 Q99714 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTR1A P08908 7/20 0.52
DRD2 P14416 6/20 0.52
HTR7 P34969 6/20 0.52
DRD3 P35462 5/20 0.52
HTR2B P41595 5/20 0.52
HTR2A P28223 4/20 0.52
HRH1 P35367 4/20 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
SCHEMBL7651622 0.91 KDM4E (0.68) ALDH1A1KDM4ECASP1KMT2AMEN1
SCHEMBL13562512 0.84 KMT2A (0.67) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9120363 0.82 KMT2A (0.83) ALDH1A1KMT2AMEN1LMNAHSD17B10
SCHEMBL9121163 0.81 KMT2A (0.81) ALDH1A1KMT2AMEN1LMNANPC1
Hydrochloric Acid SCHEMBL9120510 0.80 KMT2A (0.78) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL22721189 0.78 ALDH1A1 (0.83) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7651823 0.76 HSD17B10 (0.61) ALDH1A1KDM4ELMNAHSD17B10HTR1A
SCHEMBL11548124 0.76 KMT2A (0.55) ALDH1A1KDM4ECASP1KMT2AMEN1
SCHEMBL7654287 0.75 HSD17B10 (0.68) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL7393703 0.75 KMT2A (0.62) ALDH1A1KDM4EKMT2AMEN1LMNA

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 ALDH1A1 2592/4885KDM4E 3671/4885CASP1 3842/4885

“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.