SCHEMBL2434733

SCHEMBL2434733

NC(=CC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccc(-c2ccccn2)cc1

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
SCHEMBL2439999 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2439997 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2440000 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL2434729 1.00 DPP4 (0.40) DPP4LMNASMN1; SMN2CA12CA1
SCHEMBL11913036 0.86 EPHX1 (0.39) —
SCHEMBL2059511 0.86 EPHX1 (0.39) —
SCHEMBL5204924 0.86 EPHX1 (0.39) —
SCHEMBL2059512 0.86 EPHX1 (0.39) —
SCHEMBL14600170 0.86 EPHX1 (0.39) —
SCHEMBL8947146 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 8 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
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 — — EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 — — WO 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 (3 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-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.

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