SCHEMBL4573254

SCHEMBL4573254

O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 1.00
TSHR P16473 2/20 0.68
PKM P14618 1/20 0.68
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
ADRB1 P08588 1/20 0.63
HTR3A P46098 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
USP2 O75604 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LTA4H P09960 1/20 0.56

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
SCHEMBL27361164 0.87 PKM (0.79) HTR6TSHRPKMALDH1A1LMNA
SCHEMBL3826873 0.85 HTR6 (1.00) HTR6HTR3EHTR3BADRB1HTR3A
SCHEMBL18553733 0.85 HTR6 (0.73) HTR6ALDH1A1KDM4ELMNAHTR3E
SCHEMBL18553773 0.85 HTR6 (0.73) HTR6TSHRPKMALDH1A1KDM4E
SCHEMBL3322151 0.82 HTR6 (0.68) HTR6
SCHEMBL31531621 0.80 ALDH1A1 (0.71) HTR6TSHRALDH1A1KDM4ELMNA
SCHEMBL18553766 0.80 HTR6 (1.00) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL18553746 0.80 HTR6 (0.89) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL18553730 0.79 HTR6 (0.72) HTR6
SCHEMBL20485034 0.79 HTR6 (0.72) HTR6

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
US-11925637-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use SRX CARDIO, LLC (US) 2024-03-12 US disclosed
US-20220047582-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE SRX CARDIO, LLC 2022-02-17 US disclosed
US-10980801-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use SRX CARDIO, LLC (US) 2021-04-20 US disclosed
US-20200253958-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE SRX CARDIO, LLC 2020-08-13 US disclosed
US-10568882-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use SRX CARDIO, LLC (US) 2020-02-25 US disclosed
US-20180250291-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2018-09-06 US disclosed
EP-3337788-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE Portola Pharmaceuticals, Inc. (US) 2018-06-27 EP disclosed
WO-2017034997-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE PORTOLA PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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 (6 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-20200253958-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE PCSK9, LDLR, PCSK7 HTR6 2238/4885TSHR 1591/4885PKM 418/4885
US-20220047582-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE PCSK9, LDLR, PCSK7 HTR6 2238/4885TSHR 1591/4885PKM 418/4885
US-20180250291-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB HTR6 2326/4885TSHR 2083/4885PKM 215/4885
US-10980801-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use PCSK9, LDLR, PCSK7 HTR6 2238/4885TSHR 1591/4885PKM 418/4885
US-11925637-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use PCSK9, LDLR, PCSK7 HTR6 2238/4885TSHR 1591/4885PKM 418/4885
US-10568882-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use PCSK9, LDLR, PCSK7 HTR6 2238/4885TSHR 1591/4885PKM 418/4885

“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.