SCHEMBL16111137

SCHEMBL16111137

c1ccc(-n2cnc3c2CCNCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.43
▸ HTR2B P41595 3/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PDK2 Q15119 2/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.37

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
SCHEMBL10095080 0.89 PDK2 (0.41) HTR2CHTR2BHTR2ASIGMAR1PDK2
SCHEMBL17868200 0.89 PDK2 (0.41) HTR2CHTR2BHTR2AHTR3EHTR3B
SCHEMBL7425735 0.81 PDE3B (0.52) PDK2CPB2P2RX7PDE3BPDE3A
SCHEMBL16110076 0.76 HTR2C (0.43) HTR2CHTR2BHTR2AHTR3A
SCHEMBL5880449 0.72 ADRB1 (0.43) ADRB1
SCHEMBL16135324 0.71 DRD4 (0.47) SIGMAR1PDK2P2RX7
SCHEMBL3516499 0.69 HTR2C (0.39) HTR2CHTR2BHTR2A
SCHEMBL16035887 0.69 P2RX7 (0.41) PDK2CPB2P2RX7HTTHCAR1
SCHEMBL16036836 0.69 P2RX7 (0.42) PDK2CPB2P2RX7PDE3BPDE3A
SCHEMBL16035377 0.69 PLD1 (0.44) HTR2CP2RX7HTTTSHRUSP2

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 9 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
EP-2978763-A1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS Bristol-Myers Squibb Company (US) 2016-02-03 — — EP disclosed
WO-2014160692-A1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 — — WO 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 HTR2C 4280/4885HTR2B 4216/4885HTR2A 4398/4885

“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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