SCHEMBL6450339

SCHEMBL6450339

O=Cc1ccc(F)c2cc[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.37
TNF P01375 1/20 0.36
RIPK1 Q13546 1/20 0.36
PARP1 P09874 2/20 0.33
CCR8 P51685 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
KMT2A Q03164 2/20 0.32
CYP2A6 P11509 1/20 0.32
IMPDH2 P12268 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
BTK Q06187 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL21577708 0.79 KMT2A (0.35) ERN1TNFRIPK1CCR8TRIM24
SCHEMBL24340277 0.77 TRIM24 (0.43) PARP1CCR8TRIM24TRIM33KMT2A
SCHEMBL2542070 0.77 TNF (0.45) TNFRIPK1PARP1CCR8KMT2A
SCHEMBL19584833 0.77 PIM1 (0.31) CCR8TRIM24TRIM33CYP2A6IMPDH2
SCHEMBL15321713 0.74 MCL1 (0.35) CCR8TRIM24TRIM33KMT2ACYP2A6
SCHEMBL12033199 0.71 TNF (0.41) TNFRIPK1PARP1CCR8KMT2A
SCHEMBL12513769 0.69 TNF (0.39) TNFRIPK1PARP1CCR8KMT2A
SCHEMBL620047 0.69 TNF (0.39) TNFRIPK1PARP1CCR8KMT2A
SCHEMBL6437291 0.69 TNF (0.48) TNFRIPK1PARP1CCR8KMT2A
SCHEMBL6870752 0.69 TNF (0.39) TNFRIPK1PARP1CCR8BTK

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129896-A1 INHIBITORS OF PROCASPASE-6 ACTIVATION AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 WO disclosed
CN-112608320-B Piperidine compound and preparation method and medical application thereof 中国药科大学 2023-03-17 CN disclosed
EP-3455212-B1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 HEPTARES THERAPEUTICS LTD (GB) 2022-02-09 EP disclosed
EP-3455212-B1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 HEPTARES THERAPEUTICS LTD (GB) 2022-02-09 EP disclosed
WO-2021143792-A1 PIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-07-22 WO disclosed
US-10995072-B2 Inhibitors of protease-activated receptor-2 HEPTARES THERAPEUTICS LIMITED (GB) 2021-05-04 US disclosed
US-10995072-B2 Inhibitors of protease-activated receptor-2 HEPTARES THERAPEUTICS LIMITED (GB) 2021-05-04 US disclosed
CN-112608320-A Piperidine compound and preparation method and medical application thereof 中国药科大学 2021-04-06 CN disclosed
US-20200140392-A1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 NXERA PHARMA UK LIMITED (GB) 2020-05-07 US disclosed
US-20200140392-A1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 NXERA PHARMA UK LIMITED (GB) 2020-05-07 US disclosed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US disclosed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US disclosed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP disclosed
US-6469006-B1 PARTICULARLY FOR TREATING HIV INFECTIONS BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 US disclosed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO disclosed
EP-1105135-A4 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
CN-1320037-A Antiviral indoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2001-10-31 CN disclosed
EP-1105135-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-13 EP disclosed
WO-2000076521-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-21 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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA ERN1 3563/4885TNF 563/4885RIPK1 803/4885
US-10995072-B2 Inhibitors of protease-activated receptor-2 F2RL1, F2R, F2RL3 ERN1 3050/4885TNF 1054/4885RIPK1 527/4885
US-20200140392-A1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 F2RL1, F2R, F2RL3 ERN1 3050/4885TNF 1054/4885RIPK1 527/4885

“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.