SCHEMBL4622787

SCHEMBL4622787

CC[C@@](O)(NC)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 7/20 0.42
▸ CHRM2 P08172 3/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ CHRM4 P08173 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL3264636 1.00 CHRM3 (0.42) CHRM3CHRM2CHRM1ESR1CHRM4
SCHEMBL28197926 0.84 CHRM3 (0.40) CHRM3CHRM2CHRM1ESR1CHRM4
SCHEMBL6327316 0.81 CHRM3 (0.40) CHRM3CHRM2CHRM1ESR1CHRM4
SCHEMBL28197219 0.77 LMNA (0.40) CHRM3CHRM2CHRM1KMT2AALDH1A1
SCHEMBL3389968 0.76 ESR1 (0.42) CHRM3CHRM2CHRM1ESR1CHRM4
SCHEMBL5914943 0.75 SMN1; SMN2 (0.43) CHRM3CHRM2CHRM1MAPTALDH1A1
SCHEMBL5915004 0.75 SMN1; SMN2 (0.43) CHRM3CHRM2CHRM1MAPTALDH1A1
SCHEMBL28855768 0.75 ESR1 (0.41) CHRM3CHRM2CHRM1ESR1CHRM4
SCHEMBL5684867 0.75 ESR1 (0.41) CHRM3CHRM2CHRM1ESR1CHRM4
SCHEMBL28671879 0.75 ESR1 (0.41) CHRM3CHRM2CHRM1ESR1CHRM4

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
EP-1613745-B1 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF SE (DE) 2008-03-19 — — EP disclosed
US-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 — — US disclosed
EP-1613745-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2006-01-11 — — EP disclosed
WO-2004090094-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2004-10-21 — — 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-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols ALDH7A1, ALDH3A1, AMPD3 CHRM3 3759/4885CHRM2 4246/4885CHRM1 4000/4885

“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.

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