SCHEMBL3008046

SCHEMBL3008046

[CH2]C(=O)N1CCC(OCCOCC)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.43
EPHX2 P34913 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
LIPC P11150 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
NAMPT P43490 1/20 0.33
VNN1 O95497 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL3008049 0.86 LIPG (0.46) LIPGEPHX2TAAR1HTTCYP2D6
SCHEMBL6044101 0.79 KMT2A (0.36) LIPGTAAR1TSHRLIPCGAA
SCHEMBL8184901 0.74 HPGD (0.47)
SCHEMBL425324 0.73 NPC1 (0.38) ALDH1A1VNN1MAPT
SCHEMBL16333552 0.73 LIPG (0.47) LIPGTAAR1LIPCNAMPT
SCHEMBL27970841 0.72 LIPG (0.40) LIPGEPHX2CYP2D6CYP2C19LIPC
SCHEMBL9044462 0.72 EPHX2 (0.37) LIPGEPHX2CYP2D6CYP2C19
SCHEMBL21930188 0.70 VNN1 (0.41) TAAR1ALDH1A1GAATHRBVNN1
SCHEMBL21929958 0.70 VNN1 (0.41) TAAR1ALDH1A1GAATHRBVNN1
SCHEMBL12085750 0.70 VNN1 (0.41) TAAR1ALDH1A1GAATHRBVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP claimed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US claimed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US claimed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP claimed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO claimed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 LIPG 619/4885EPHX2 2760/4885TAAR1 4428/4885

“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.