SCHEMBL5547480

SCHEMBL5547480

Fc1ccccc1CCCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
AOC3 Q16853 1/20 0.50
IDO1 P14902 2/20 0.46
MPO P05164 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.42
MAOB P27338 2/20 0.42
DAO P14920 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL31069232 0.86 TAAR1 (0.58) TAAR1AOC3IDO1MPOCYP1A2
SCHEMBL3520428 0.86 TAAR1 (0.58) TAAR1AOC3IDO1MPOCYP1A2
SCHEMBL19215809 0.84 TAAR1 (0.56) TAAR1AOC3IDO1MPOCYP1A2
SCHEMBL8526001 0.84 TAAR1 (0.75) TAAR1AOC3IDO1MPOLMNA
SCHEMBL4574904 0.81 TAAR1 (0.40) TAAR1AOC3IDO1CYP1A2CYP2C19
SCHEMBL69225 0.79
SCHEMBL29602556 0.79
SCHEMBL30660239 0.79 TAAR1 (0.68) TAAR1AOC3IDO1MPOLMNA
SCHEMBL23860531 0.77 TAAR1 (0.52) TAAR1AOC3IDO1CYP1A2CYP2C9
Phosphine SCHEMBL4870115 0.77 TAAR1 (0.52) TAAR1AOC3IDO1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257593-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-10-11 EP disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 WO disclosed
EP-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 EP disclosed
CN-1228330-C Imidazole derivatives or their salts SSP CO LTD (JP) 2005-11-23 CN disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 WO disclosed
US-6852723-B2 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. (US) 2005-02-08 US disclosed
CN-1462270-A Imidazole derivatives or their salts SSP CO LTD (JP) 2003-12-17 CN disclosed
US-20030176482-A1 Imidazole derivatives or their salts HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-09-18 US disclosed
US-20030176440-A1 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
EP-1319658-A1 IMIDAZOLE DERIVATIVES OR THEIR SALTS SSP Co., Ltd. (JP) 2003-06-18 EP disclosed
US-6552023-B2 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2003-04-22 US disclosed
CN-1404471-A Substituted piperazine compounds CV THERAPEUTICS INC (US) 2003-03-19 CN disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
US-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2001-11-15 US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed
EP-0289881-A2 2-Aminoalkyl-4-benzyl-1-(2H)-phthalazinone derivatives ASTA Medica Aktiengesellschaft (DE) 1988-11-09 EP 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 (4 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-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life TNNC1, ATP2A1, ATP2A2 TAAR1 4462/4885AOC3 3775/4885IDO1 3116/4885
US-20030176482-A1 Imidazole derivatives or their salts CSF3R, CSF1R, FLT3 TAAR1 1392/4885AOC3 1428/4885IDO1 181/4885
US-20030176440-A1 Aralkyl substituted piperazine compounds ATP2A1, ATP2A3, ATP2A2 TAAR1 4289/4885AOC3 3574/4885IDO1 3076/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 TAAR1 3590/4885AOC3 3895/4885IDO1 2791/4885

“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.