SCHEMBL2056388

SCHEMBL2056388

CCc1ccc(NC(=O)OCCN2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ POLB P06746 2/20 0.55
▸ MAPK1 P28482 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TACR2 P21452 2/20 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
SCHEMBL8202631 0.87 SMN1; SMN2 (0.62) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL17203124 0.86 SMN1; SMN2 (0.67) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL2054582 0.84 MAPT (0.55) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL17202971 0.83 ATM (0.56) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL13657275 0.83 SMN1; SMN2 (0.55) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL10174568 0.83 ATM (0.75) MAPTSMN1; SMN2RAB9AMAPK1LMNA
Hydrochloric Acid SCHEMBL17202790 0.82 ATM (0.55) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL15581503 0.82 LMNA (0.62) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL966712 0.82 NPC1 (0.52) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL2056328 0.80 CNR1 (0.73) MAPTSMN1; SMN2RAB9APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 — — US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 — — US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 — — US disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 — — US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 — — US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 — — US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 — — US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 — — US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 — — US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 — — 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 (7 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 MAPT 813/4885SMN1; SMN2 3489/4885RAB9A 2199/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 MAPT 813/4885SMN1; SMN2 3489/4885RAB9A 2199/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 MAPT 1192/4885SMN1; SMN2 3646/4885RAB9A 1667/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 MAPT 759/4885SMN1; SMN2 4299/4885RAB9A 1183/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 MAPT 726/4885SMN1; SMN2 3646/4885RAB9A 1077/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 MAPT 813/4885SMN1; SMN2 3489/4885RAB9A 2199/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 MAPT 813/4885SMN1; SMN2 3489/4885RAB9A 2199/4885

“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.

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