SCHEMBL18383369

SCHEMBL18383369

CCCCCC(=O)Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.62
▸ CNR2 P34972 1/20 0.58
▸ MAPT P10636 12/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47

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
SCHEMBL16730279 0.90 NPC1 (0.53) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL17713154 0.90 CNR1 (0.49) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL16730277 0.89 NPC1 (0.57) CNR1CNR2MAPTALDH1A1KMT2A
SCHEMBL18028126 0.87 MAPT (0.49) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL7091874 0.80 CNR1 (0.78) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL18058762 0.78 HDAC8 (0.41) MAPTALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL21890845 0.78 RPS6KA3 (0.40) MAPTALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL18058760 0.78 PTGS2 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL16730425 0.78 MAPT (0.44) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL18410384 0.77 MAPT (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099963-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF UNICHEM LAB LTD (IN) 2018-04-12 — — US disclosed
US-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 — — US disclosed
US-9908881-B2 Process for the preparation of apixaban and intermediates thereof UNICHEM LABORATORIES LIMITED (IN) 2018-03-06 — — US disclosed
US-20170362232-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF UNICHEM LAB LTD (IN) 2017-12-21 — — US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US disclosed
US-20170015663-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF UNICHEM LABORATORIES LIMITED (IN) 2017-01-19 — — 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 (4 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-20180099963-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF HAX1, CYP4X1, HTRA1 CNR1 947/4885CNR2 842/4885MAPT 4264/4885
US-20170362232-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF HAX1, CYP4X1, HTRA1 CNR1 947/4885CNR2 842/4885MAPT 4264/4885
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 CNR1 820/4885CNR2 718/4885MAPT 4806/4885
US-20170015663-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF HAX1, CYP4X1, HTRA1 CNR1 947/4885CNR2 842/4885MAPT 4264/4885

“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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