SCHEMBL6330742

SCHEMBL6330742

Cc1cc(N2CCCC2)ccc1C1CC(CN(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 7/20 0.35
MAPT P10636 7/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
ADRB1 P08588 1/20 0.35
GAA P10253 2/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL6324367 0.89 HPGD (0.35) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6329260 0.79 SIGMAR1 (0.41) HPGDMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6329264 0.79 SIGMAR1 (0.41) HPGDMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6324501 0.78 MEN1 (0.34) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6324495 0.78 MEN1 (0.34) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6329232 0.78 GAA (0.49) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6329235 0.78 GAA (0.49) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5485991 0.76 ALDH1A1 (0.43) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6320500 0.75 HTR1A (0.32) SMN1; SMN2MAPTGAARAD52MAPK1
SCHEMBL6320494 0.75 HTR1A (0.32) SMN1; SMN2MAPTGAARAD52MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker HRH3, HRH4, HRH1 HPGD 821/4885MEN1 3182/4885KMT2A 2053/4885

“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.