SCHEMBL6775348

SCHEMBL6775348

C=C(Br)CN1CCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
HTT P42858 1/20 0.46
PIK3CD O00329 1/20 0.46
KMT2A Q03164 2/20 0.43
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
STAT6 P42226 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL7601362 0.82 TSHR (0.60) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL917410 0.80 TSHR (0.58) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL22446137 0.80 TSHR (0.69) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL20437773 0.77 TSHR (0.55) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL11760214 0.77 TSHR (0.59) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL18407882 0.77 TSHR (0.59) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL948990 0.75 TSHR (0.68) TSHRHTTPIK3CDKMT2ACHRM2
Piracetam SCHEMBL20172 0.73 TSHR (1.00) TSHRHTTPIK3CDKMT2ACHRM2
Piracetam SCHEMBL6140872 0.73 TSHR (1.00) TSHRHTTPIK3CDKMT2ACHRM2
SCHEMBL6935107 0.73 TSHR (0.66) TSHRHTTPIK3CDKMT2ACHRM2

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-6716857-B2 1-(3-HYDROCARBYLOXYIMINO-3-(1-ALKYL-1,2,5,6-TETRAHYDROPYRID-3-YL) -ALKYLPYRROLIDIN-2-ONE DERIVATIVES; RECEPTIVITY; ANALGESICS, GLAUCOMA, PSYCHOSIS, SCHIZOPHRENIA, ANXIOLYTIC AGENTS, BIPOLAR DISORDERS; ANTIDEPRESSANTS; SLEEP DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US claimed
US-20030119880-A1 Tetrahydropyridine derivatives acting on muscarinic acetylcholine receptors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-26 US claimed
US-6716857-B2 1-(3-HYDROCARBYLOXYIMINO-3-(1-ALKYL-1,2,5,6-TETRAHYDROPYRID-3-YL) -ALKYLPYRROLIDIN-2-ONE DERIVATIVES; RECEPTIVITY; ANALGESICS, GLAUCOMA, PSYCHOSIS, SCHIZOPHRENIA, ANXIOLYTIC AGENTS, BIPOLAR DISORDERS; ANTIDEPRESSANTS; SLEEP DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US disclosed
US-20030119880-A1 Tetrahydropyridine derivatives acting on muscarinic acetylcholine receptors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-26 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 (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-20030119880-A1 Tetrahydropyridine derivatives acting on muscarinic acetylcholine receptors CHRM1, CHRM3, CHRM2 TSHR 92/4885HTT 3679/4885PIK3CD 2235/4885

“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.