SCHEMBL6185941

SCHEMBL6185941

OC(CN1CCN(CCn2cc(-c3ccc(F)cc3)cn2)CC1)c1ccc2sc(C3CCCCC3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIPC P11150 3/20 0.36
RET P07949 1/20 0.35
SPR P35270 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GRIN2B Q13224 1/20 0.34
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL6617750 0.88 LMNA (0.36) LMNAHTTMAPTTSHRSMN1; SMN2
SCHEMBL5965124 0.86 CYP1A2 (0.42)
SCHEMBL5901488 0.86 CYP1A2 (0.42)
SCHEMBL6258629 0.82 LMNA (0.40) LMNAHTTMAPTTSHRSMN1; SMN2
SCHEMBL6185935 0.81 LMNA (0.34) LMNAHTTMAPTTSHRSMN1; SMN2
SCHEMBL5965244 0.78 CYP1A2 (0.41)
SCHEMBL5965177 0.78 CYP3A4 (0.48) ALDH1A1
SCHEMBL5901872 0.78 CYP3A4 (0.48) ALDH1A1
SCHEMBL6256837 0.74 MAPT (0.37) LMNAMAPTSMN1; SMN2LIPCALDH1A1
SCHEMBL5965125 0.71 CYP1A2 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930111-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2005-08-16 US disclosed
EP-1406898-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2005-04-06 EP disclosed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 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-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP LMNA 1866/4885HTT 2023/4885MAPT 4808/4885

“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.