SCHEMBL7095904

SCHEMBL7095904

NCCc1ccc(SC2CCN(C(=O)NNCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL7095305 0.80 EPHX2 (0.51) ALDH1A1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7091425 0.77 ALDH1A1 (0.54) ALDH1A1TSHRTPSAB1SMN1; SMN2MEN1
SCHEMBL7096159 0.76 FAAH (0.53) ALDH1A1SMN1; SMN2TP53
SCHEMBL7095644 0.73 TPSAB1 (0.47) TPSAB1TPSD1TPSG1ADRB1ADRB3
SCHEMBL7094555 0.72 ADRB1 (0.60) ALDH1A1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7026680 0.70 HTR2A (0.55) HTR2AHTR2CHTR7HTR6
SCHEMBL7025586 0.70 HTR2A (0.52) HTR2AHTR2CHTR7HTR6
SCHEMBL7096653 0.70 EPHX2 (0.59) ALDH1A1TSHRTPSAB1TPSD1TPSG1
SCHEMBL4097076 0.70 CCR5 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL7095557 0.69 MEN1 (0.47) ALDH1A1TPSAB1TPSD1TPSG1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 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 (2 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ALDH1A1 725/4885TSHR 603/4885TPSAB1 596/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885TSHR 552/4885TPSAB1 518/4885

“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.