SCHEMBL6093916

SCHEMBL6093916

O=C(N[C@@H](CCO)Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.72
TACR1 P25103 3/20 0.53
CTSL P07711 5/20 0.52
CTSB P07858 3/20 0.52
CTSK P43235 2/20 0.52
CTSS P25774 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP3A4 P08684 2/20 0.51
SYK P43405 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL6093920 1.00 CTRB1 (0.72) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL1570465 0.90 CTRB1 (0.61) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL1570467 0.90 CTRB1 (0.61) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL15664942 0.90 CTRB1 (0.61) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL1051352 0.88 CTRB1 (0.76) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL2482903 0.88 CTRB1 (0.76) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL2435512 0.88 CTRB1 (0.76) CTRB1TACR1CTSLCTSBCTSK
SCHEMBL25302472 0.87 CTRB1 (0.58) CTRB1SYKATM
SCHEMBL18956262 0.87 CTRB1 (0.58) CTRB1SYKATM
SCHEMBL8842840 0.86 CTRB1 (0.68) CTRB1TACR1CTSLCTSBCTSK

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-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 CTRB1 1999/4885TACR1 2451/4885CTSL 2702/4885

“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.