SCHEMBL6101374

SCHEMBL6101374

S=C(OCCc1ccccc1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.42
TBXAS1 P24557 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
HMOX1 P09601 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
LTA4H P09960 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL17181088 0.84 CA12 (0.46) QPCTTBXAS1CYP1A2POLBCYP3A4
SCHEMBL4059533 0.84 P2RX4 (0.48) CYP3A4HCAR2FAAHMGLL
SCHEMBL12490733 0.83 HSD17B10 (0.33) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL19468350 0.76 CYP1A2 (0.42) QPCTTBXAS1CYP1A2POLBCYP3A4
SCHEMBL23764025 0.75 LMNA (0.51) TBXAS1POLBKMT2A
SCHEMBL12507096 0.74 QPCT (0.36) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL6095146 0.73 CYP3A4 (0.42) TBXAS1CYP3A4CYP2D6CYP19A1CYP11B1
SCHEMBL19468136 0.72 NOS1 (0.44) QPCTTBXAS1CYP1A2POLBCYP3A4
SCHEMBL12490352 0.72 TBXAS1 (0.42) QPCTTBXAS1CYP1A2POLBCYP3A4
SCHEMBL1260766 0.72 TBXAS1 (0.50) QPCTTBXAS1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094880-A9 Synthetic process for trans-aminocyclohexyl ether compounds BARRETT ANTHONY G M 2006-05-04 US disclosed
US-20050038256-A1 Synthetic process for trans-aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2005-02-17 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 (2 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-20060094880-A9 Synthetic process for trans-aminocyclohexyl ether compounds AKR1C3, CBR1, CBR3 QPCT 2179/4885TBXAS1 279/4885CYP1A2 113/4885
US-20050038256-A1 Synthetic process for trans-aminocyclohexyl ether compounds AKR1C3, CBR1, CBR3 QPCT 2179/4885TBXAS1 279/4885CYP1A2 113/4885

“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.