SCHEMBL16135324

SCHEMBL16135324

c1ccc(CN2CCc3ncn(-c4ccccc4)c3CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ P2RX7 Q99572 1/20 0.45
▸ CLPP Q16740 1/20 0.44
▸ PDK2 Q15119 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MC4R P32245 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL5880538 0.79 CLPP (0.48) DRD4P2RX7CLPPPDK2MEN1
SCHEMBL16036215 0.75 P2RX7 (0.51) P2RX7CLPPMEN1KMT2ANPC1
SCHEMBL7425735 0.75 PDE3B (0.52) P2RX7PDK2
SCHEMBL11069340 0.75 SIGMAR1 (0.61) DRD4SIGMAR1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL11078532 0.73 SIGMAR1 (0.59) DRD4SIGMAR1MEN1KMT2ANPC1
SCHEMBL18446208 0.69 PDK2 (0.67) P2RX7PDK2
SCHEMBL13952 0.68 SIGMAR1 (0.81) DRD4SIGMAR1MC4R
SCHEMBL1777747 0.68 SIGMAR1 (0.81) DRD4SIGMAR1MC4R
SCHEMBL329650 0.68 SIGMAR1 (0.81) DRD4SIGMAR1MC4R
SCHEMBL2228267 0.68 SIGMAR1 (0.81) DRD4SIGMAR1MC4R

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
EP-2978763-B1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2018-03-07 — — EP disclosed
EP-2978763-B1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2018-03-07 — — EP disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 — — US disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 — — US disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 — — US disclosed
US-20160052924-A1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-02-25 — — US disclosed
WO-2014160692-A1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 — — 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 (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-20160052924-A1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS NAPA, GDI2, CD4 DRD4 4655/4885SIGMAR1 2286/4885P2RX7 4837/4885

“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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