SCHEMBL3329900

SCHEMBL3329900

CN1CCC(N(C)C(=O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.55
CCR3 P51677 1/20 0.54
USP30 Q70CQ3 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
POLB P06746 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
KDM4E B2RXH2 1/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
MCHR1 Q99705 2/20 0.49

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
SCHEMBL3333340 0.91 HRH3 (0.61) CCR5CCR3USP30HRH3MCHR1
SCHEMBL8738665 0.87 JAK2 (0.58) CCR5CCR3USP30KMT2AMEN1
SCHEMBL9001749 0.86 CCR3 (0.51) CCR5CCR3USP30
SCHEMBL3840449 0.86 CCR3 (0.51) CCR5CCR3USP30
SCHEMBL25498560 0.86 LMNA (0.65) CCR5USP30POLBHRH3ADORA2A
SCHEMBL12082859 0.86 PDK2 (0.61) CCR5HTR2AHTR2CHRH3JAK2
SCHEMBL1164100 0.84 MCHR1 (0.50) CCR5USP30HRH3ADORA2AADORA1
SCHEMBL1448084 0.84 MCHR1 (0.47) CCR5USP30HRH3ADORA2AADORA1
SCHEMBL94337 0.84 MCHR1 (0.50) CCR5USP30HRH3ADORA2AADORA1
SCHEMBL16553814 0.84 HTR2A (0.54) CCR5USP30HTR2AHTR2CHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 WO claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
US-20240308992-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Biopolar Youtang(Guangdong) Pharmaceutical Co., Ltd. (CN) 2024-09-19 US disclosed
EP-4431508-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Biopolar Youtang (Guangdong) Pharmaceutical Co., Ltd. (CN) 2024-09-18 EP disclosed
CN-118201922-A Drak2 inhibitor and preparation method and application thereof 百极优棠(广东)医药科技有限公司 2024-06-14 CN disclosed
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 WO disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-2861577-B1 TERTIARY AMINES, MEDICAMENTS CONTAINING SAID AMINES, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-01-04 EP disclosed
EP-2471787-A1 New compounds Boehringer Ingelheim International GmbH (DE) 2012-07-04 EP disclosed
EP-2027107-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-02-25 EP disclosed
WO-2007132010-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed
US-7122565-B2 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT LLC (US) 2006-10-17 US disclosed
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
CN-1639141-A Novel thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER LAMBERT CO (US) 2005-07-13 CN disclosed
EP-1326853-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2003-07-16 EP disclosed
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY 2003-03-06 US disclosed
WO-2002028847-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-04-11 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 CCR5 3124/4885CCR3 4449/4885USP30 4534/4885
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 CCR5 4599/4885CCR3 4385/4885USP30 3576/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CCR5 2552/4885CCR3 2380/4885USP30 2814/4885
US-20240308992-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF VRK2, MAPKAPK2, DAPK2 CCR5 2040/4885CCR3 4584/4885USP30 4400/4885
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors PDE3A, PDE3B, PDE7A CCR5 308/4885CCR3 437/4885USP30 1901/4885

“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.