SCHEMBL3025923

SCHEMBL3025923

CC(=O)CCC(=O)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
HTR7 P34969 1/20 0.63
PTPN1 P18031 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.53
CTNNB1 P35222 1/20 0.51
MEN1 O00255 2/20 0.51
PAX8 Q06710 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HSD11B1 P28845 1/20 0.49
PLOD2 O00469 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL26584242 0.89 NPC1 (0.82) NPC1RAB9AHTR7PTPN1SMN1; SMN2
SCHEMBL11686001 0.89 SMN1; SMN2 (0.62) NPC1RAB9AHTR7SMN1; SMN2KDM4E
SCHEMBL13564338 0.88 NPC1 (0.81) NPC1RAB9AHTR7PTPN1SMN1; SMN2
SCHEMBL8272050 0.84 NPC1 (0.62) NPC1RAB9AHTR7PTPN1SMN1; SMN2
SCHEMBL3141694 0.83 SMN1; SMN2 (0.56) NPC1RAB9AHTR7SMN1; SMN2KDM4E
SCHEMBL2490498 0.81 HTR7 (0.78) NPC1RAB9AHTR7PTPN1SMN1; SMN2
SCHEMBL315309 0.81 RAB9A (0.69) NPC1RAB9AHTR7PTPN1SMN1; SMN2
SCHEMBL822848 0.81 KMT2A (0.70) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL8532385 0.81 HSD17B3 (0.67) NPC1RAB9APTPN1SMN1; SMN2KDM4E
SCHEMBL8533892 0.81 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2KDM4EHPGDKMT2A

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
CN-115975178-A Preparation method of polyaryletherketone resin with alkyl structure in main chain, polyaryletherketone resin with alkyl structure in main chain and application 中国科学院大连化学物理研究所 2023-04-18 CN claimed
CN-115975179-A Preparation method of alkyl structure-containing polyaryletherketone resin, alkyl structure-containing polyaryletherketone resin and application 中国科学院大连化学物理研究所 2023-04-18 CN claimed
CN-115975178-A Preparation method of polyaryletherketone resin with alkyl structure in main chain, polyaryletherketone resin with alkyl structure in main chain and application 中国科学院大连化学物理研究所 2023-04-18 CN disclosed
CN-115975179-A Preparation method of alkyl structure-containing polyaryletherketone resin, alkyl structure-containing polyaryletherketone resin and application 中国科学院大连化学物理研究所 2023-04-18 CN disclosed
EP-3156398-A1 AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2017-04-19 EP disclosed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-8012970-B2 Derivatives of 1-{[1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]methyl}-4-methylpiperazine, synthesis process and uses thereof UNIVERSTA' DEGLI STUDI DI SIENA (IT) 2011-09-06 US disclosed
US-8012970-B2 Derivatives of 1-{[1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]methyl}-4-methylpiperazine, synthesis process and uses thereof UNIVERSTA' DEGLI STUDI DI SIENA (IT) 2011-09-06 US disclosed
US-20110144109-A1 Derivatives of 1--4-methylpiperazine, synthesis process and uses thereof BIAVA MARIANGELA 2011-06-16 US disclosed
US-20110144109-A1 Derivatives of 1--4-methylpiperazine, synthesis process and uses thereof BIAVA MARIANGELA 2011-06-16 US disclosed
US-7910581-B2 Derivatives of 1-{[1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl] methyl}-4-methylpiperazine, synthesis process and uses thereof POMPEI (10%), RAFFAELLO (IT) 2011-03-22 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
EP-2172451-A2 Derivatives of 1-{[1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]methyl}-4-methylpiperazine, synthesis and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2010-04-07 EP disclosed
US-20090281094-A1 Derivatives of 1--4-methylpiperazine, synthesis process and uses thereof POMPEI (10%), RAFFAELLO (IT) 2009-11-12 US disclosed
US-20090281094-A1 Derivatives of 1--4-methylpiperazine, synthesis process and uses thereof POMPEI (10%), RAFFAELLO (IT) 2009-11-12 US disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS NPC1 3463/4885RAB9A 2814/4885HTR7 2682/4885
US-20090281094-A1 Derivatives of 1--4-methylpiperazine, synthesis process and uses thereof DHPS, RRP12, MRPS22 NPC1 2899/4885RAB9A 3860/4885HTR7 1495/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS NPC1 3463/4885RAB9A 2814/4885HTR7 2682/4885
US-20110144109-A1 Derivatives of 1--4-methylpiperazine, synthesis process and uses thereof DHPS, RRP12, MRPS22 NPC1 2899/4885RAB9A 3860/4885HTR7 1495/4885

“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.