SCHEMBL334798

SCHEMBL334798

CCC1CN(Cc2ccccc2)CCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
SIGMAR1 Q99720 2/20 0.53
ACHE P22303 2/20 0.46
CYP2C19 P33261 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MC4R P32245 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 1/20 0.43
BACE1 P56817 1/20 0.43
FUCA1 P04066 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL1005557 1.00 LTA4H (0.60) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL4681405 1.00 LTA4H (0.60) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL4272207 0.88 LTA4H (0.57) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL1714300 0.88 LTA4H (0.57) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL10219060 0.88 LTA4H (0.57) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL18325 0.86 LTA4H (0.61) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL3491795 0.86 LTA4H (0.61) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL24350 0.86 LTA4H (0.61) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL10219068 0.85 LTA4H (0.55) LTA4HSIGMAR1ACHECYP2C19ALDH1A1
SCHEMBL10219063 0.85 LTA4H (0.55) LTA4HSIGMAR1ACHECYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239768-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION (US) 2023-12-14 WO disclosed
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
CN-109575544-A A kind of preparation and its application method of medical antibacterial poly-lactic acid material 周娟 2019-04-05 CN disclosed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
CN-106590304-A Cement polymer environmental-friendly exterior wall coating material 佛山市顺德区数码彩涂料有限公司 2017-04-26 CN disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
EP-1204658-B1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS LILLY CO ELI (US) 2003-05-07 EP disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 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 (5 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A LTA4H 1451/4885SIGMAR1 48/4885ACHE 1329/4885
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ACHE 866/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ACHE 866/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 LTA4H 2734/4885SIGMAR1 279/4885ACHE 1499/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ACHE 866/4885

“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.