SCHEMBL2439999

SCHEMBL2439999

N/C(=C\C(=O)[C@H](Cc1ccc(-c2ccccn2)cc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA5A P35218 4/20 0.38
CA9 Q16790 4/20 0.38
CA5B Q9Y2D0 4/20 0.38
UGT1A1 P22309 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
SLCO2B1 O94956 1/20 0.38
ABCB11 O95342 1/20 0.38
ABCB1 P08183 1/20 0.38
CCKAR P32238 1/20 0.38
OPRK1 P41145 1/20 0.38
GHSR Q92847 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL2434733 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2440000 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2434729 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2439997 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2059511 0.86 EPHX1 (0.39)
SCHEMBL14600170 0.86 EPHX1 (0.39)
SCHEMBL8947146 0.86 EPHX1 (0.39)
SCHEMBL2059512 0.86 EPHX1 (0.39)
SCHEMBL11913036 0.86 EPHX1 (0.39)
SCHEMBL5204924 0.86 EPHX1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 DPP4 497/4885LMNA 3063/4885SMN1; SMN2 4019/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP DPP4 140/4885LMNA 3100/4885SMN1; SMN2 4444/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP DPP4 140/4885LMNA 3100/4885SMN1; SMN2 4444/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP DPP4 140/4885LMNA 3100/4885SMN1; SMN2 4444/4885

“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.