SCHEMBL444425

SCHEMBL444425

[c]1ccccc1ON1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
KCNA5 P22460 2/20 0.31
CYP2C19 P33261 2/20 0.31
KCNH2 Q12809 2/20 0.31
KCNE1 P15382 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4722561 0.98
SCHEMBL4719479 0.81 TP53 (0.38) MEN1LMNAKMT2ASMN1; SMN2NPSR1
SCHEMBL4722282 0.81 ADRB1 (0.37) CYP1A2CYP3A4CYP2C19HPGDMEN1
SCHEMBL4721694 0.81 CYP2A13 (0.31)
SCHEMBL4720355 0.75 HTR3E (0.32)
SCHEMBL5656583 0.73 ESR1 (0.37) CYP2D6KCNH2SMN1; SMN2
SCHEMBL4721069 0.72
SCHEMBL7652766 0.71
SCHEMBL2180083 0.70 TSHR (0.53) SMN1; SMN2
SCHEMBL3960266 0.70 ALDH1A1 (0.37) CYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858910-B2 Pyridinylmethylenepiperidine derivatives and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-02 US disclosed
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2022-02-22 US disclosed
US-20210188803-A1 PYRIDINYLMETHYLENEPIPERIDINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-06-24 US disclosed
US-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS NOVO NORDISK A/S (DK) 2020-12-31 US disclosed
US-RE48164-E1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2020-08-18 US disclosed
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2019-10-29 US disclosed
EP-2057112-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2018-12-19 EP disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
EP-2114145-B1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS EMISPHERE TECH INC (US) 2017-11-01 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists ELILILLY AND COMPANY (US) 2006-09-21 US disclosed
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists ELILILLY AND COMPANY (US) 2006-09-21 US disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
CN-1777584-A As 5-HT1F(Piperidyloxy) phenyl, (peridyloxy) pyridyl, (peridylthio) phenyl and (peridylthio) pyridyl compounds of agonists LILLY CO ELI (US) 2006-05-24 CN disclosed
EP-1626958-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
WO-2004094380-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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 (7 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-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS PGF, LIPA, PDGFA CYP1A2 4087/4885CYP3A4 2823/4885CYP2D6 2299/4885
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists HTR1A, HTR1F, HTR5A CYP1A2 1434/4885CYP3A4 1698/4885CYP2D6 2134/4885
US-11858910-B2 Pyridinylmethylenepiperidine derivatives and uses thereof HTR1F, HTR1A, HTR5A CYP1A2 508/4885CYP3A4 803/4885CYP2D6 717/4885
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA CYP1A2 4087/4885CYP3A4 2823/4885CYP2D6 2299/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS CYP1A2 1552/4885CYP3A4 1237/4885CYP2D6 385/4885
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA CYP1A2 4087/4885CYP3A4 2823/4885CYP2D6 2299/4885
US-20210188803-A1 PYRIDINYLMETHYLENEPIPERIDINE DERIVATIVES AND USES THEREOF HTR1F, HTR1A, HTR5A CYP1A2 508/4885CYP3A4 803/4885CYP2D6 717/4885

“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.