SCHEMBL7651631

SCHEMBL7651631

O=S(=O)(c1cccs1)N1CCC(N2CCc3ccccc3C2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
MAPK1 P28482 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 4/20 0.55
PKM P14618 2/20 0.55
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR1 P32246 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8179953 0.92 TSHR (0.63) TSHRMAPK1SMN1; SMN2ALDH1A1PKM
SCHEMBL7828814 0.82 TSHR (1.00) TSHRMAPK1SMN1; SMN2ALDH1A1PKM
SCHEMBL12719703 0.81 TSHR (0.65) TSHRMAPK1SMN1; SMN2ALDH1A1PKM
Hydrochloric Acid SCHEMBL1626620 0.80 TSHR (0.64) TSHRMAPK1SMN1; SMN2ALDH1A1PKM
SCHEMBL7645943 0.80 GAA (0.46) TSHRMAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL7651531 0.79 GAA (0.51) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL7646320 0.77 MEN1 (0.67) TSHRALDH1A1PKMPOLBMEN1
SCHEMBL5454888 0.74 MEN1 (0.55) TSHRMAPK1SMN1; SMN2ALDH1A1PKM
SCHEMBL7647926 0.74 KMT2A (0.55) TSHRSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL7652422 0.74 KDM4E (0.55) TSHRSMN1; SMN2ALDH1A1POLBMEN1

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 TSHR 208/4885MAPK1 3288/4885SMN1; SMN2 962/4885

“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.