SCHEMBL7932135

SCHEMBL7932135

CCOC1CCCCC(=O)C1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 5/20 0.39
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.37
CA6 P23280 4/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7923928 0.79 CA1 (0.43) CA1CA2CA4KMT2ACYP2D6
SCHEMBL31350077 0.75
SCHEMBL930707 0.73 CA1 (0.45) CA1CA2CA4KMT2ACYP2D6
SCHEMBL10881612 0.73 PSEN1 (0.44) CA1CA2CA4KMT2ACYP2D6
SCHEMBL21357944 0.71 ALDH1A1 (0.46) MAPK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28653429 0.70 ALDH1A1 (0.38) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL28945735 0.68 CA1 (0.46) CA1CA2CA4KMT2ACA6
SCHEMBL11828562 0.67 KMT2A (0.56) CA1CA2CA4KMT2ACYP2D6
SCHEMBL4118123 0.67
SCHEMBL30809938 0.67

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-6316634-B2 REACTING 3-ALKOXY/HYDROXY-2-HALO-CYCLOHEPTEN-1-ONE WITH ALKYLAMINIDINE HALIDE TO FORM CYCLOHEPTIMIDAZOLE COMPOUND KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2001-11-13 US disclosed
US-6278027-B1 AS CHEMICAL INTERMEDIATES IN PREPARATION OF DRUGS SUCH AS CYCLOHEPTIMIDAZOLE DERIVATIVES KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2001-08-21 US disclosed
US-20010008944-A1 Method for preparing cycloheptimidazoles TOMIYAMA TSUYOSHI (JP) 2001-07-19 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-20010008944-A1 Method for preparing cycloheptimidazoles DHFR, DHPS, MTHFD1 CA1 1829/4885CA2 3910/4885CA4 1916/4885

“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.