SCHEMBL13219982

SCHEMBL13219982

CCOC(=O)CCCN1CCOC(CN)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR4 Q13639 2/20 0.38
TNF P01375 4/20 0.36
SMYD3 Q9H7B4 1/20 0.36
BCHE P06276 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
SCHEMBL3025566 1.00 CYP1A2 (0.44) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL13220018 0.96 CYP1A2 (0.43) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL13355491 0.96 CYP1A2 (0.43) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL3031624 0.96 CYP1A2 (0.43) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL3042367 0.95 CYP1A2 (0.42) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL13220025 0.95 CYP1A2 (0.42) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL8283643 0.84 CYP1A2 (0.41) CYP1A2L3MBTL1RAB9ALMNAPOLB
SCHEMBL28639087 0.82 LMNA (0.42) L3MBTL1RAB9ALMNAPOLBTSHR
SCHEMBL11731563 0.81 RAB9A (0.36) L3MBTL1RAB9ALMNAPOLBTSHR
SCHEMBL1127670 0.77 L3MBTL1 (0.63) CYP1A2L3MBTL1RAB9ALMNAPOLB

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-20100210640-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-08-19 US disclosed
EP-2189451-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-05-26 EP 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-20100210640-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF HTR4, HTR5A, TPH1 CYP1A2 241/4885L3MBTL1 4866/4885RAB9A 3358/4885

“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.