Sugi Predict

Sugi Predict / Compounds / SCHEMBL571923

SCHEMBL571923

SCHEMBL571923

O=CC(=O)c1[nH]c2ccccc2c1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.42
▸ MAOA P21397 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ NFKB1 P19838 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
SCHEMBL10572503 0.73 KDM4E (0.57) HTR6PADI4ALDH1A1MEN1KMT2A
SCHEMBL28274604 0.71 HTR2A (0.51) HTR6ALDH1A1HTR3AHTR3EHTR3B
SCHEMBL17510042 0.70 PARP1 (0.48) HTR6PADI4ALDH1A1MEN1KMT2A
SCHEMBL1136514 0.68 HTR6 (0.57) HTR6
SCHEMBL14349887 0.68 PDE9A (0.52) PARP1
SCHEMBL8106985 0.66 RAB9A (0.57) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL6050482 0.66 ALDH1A1 (0.55) HTR6PADI4ALDH1A1MEN1KMT2A
SCHEMBL29394356 0.66 ALDH1A1 (0.55) HTR6PADI4ALDH1A1MEN1KMT2A
SCHEMBL28336625 0.65 HTR6 (0.58) HTR6ALDH1A1TSHRHSD17B10HTR3A
SCHEMBL10698893 0.65 KDM4E (0.47) HTR6ALDH1A1MEN1KMT2ATSHR

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 97 patents — showing the first 20. 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
CN-105283455-B As 2 keto amide derivatives of HIV adsorption inhibitors 百时美施贵宝公司 2017-06-16 — — CN disclosed
US-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 — — US disclosed
EP-2696937-B1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-05-17 — — 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-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 — — US disclosed
EP-2751119-B1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 — — EP disclosed
EP-2895471-B1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 — — EP disclosed
EP-2895472-B1 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 — — EP disclosed
EP-2895475-B1 TRICYCLIC AMIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-09 — — EP disclosed
WO-2007146550-A2 ALKENE PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 — — WO disclosed
WO-2007146547-A2 PIPERAZINE ENAMINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 — — WO disclosed
US-20070287730-A1 Alkene Piperidine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-20070287712-A1 Piperazine Enamines as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 — — WO disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 — — WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 — — WO disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — 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 (5 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 HTR6 659/4885MAOA 161/4885PADI4 172/4885
US-20070287730-A1 Alkene Piperidine Derivatives as Antiviral Agents EIF2AK2, ITPA, MAVS HTR6 2064/4885MAOA 1912/4885PADI4 1914/4885
US-20070287712-A1 Piperazine Enamines as Antiviral Agents INMT, ITPA, IDO1 HTR6 427/4885MAOA 401/4885PADI4 740/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HTR6 1774/4885MAOA 1911/4885PADI4 1395/4885
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 HTR6 1391/4885MAOA 1685/4885PADI4 2979/4885

“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.