SCHEMBL7216659

SCHEMBL7216659

CCn1nc(Cc2ccccc2)cc1C1CCN(CC2CC(N(C)[C@@H](C(=O)O)C(C)C)CC2c2cccc(F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00
KCNH2 Q12809 4/20 0.69

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
SCHEMBL29350723 1.00 CCR5 (1.00) CCR5KCNH2
Hydrochloric Acid SCHEMBL5761955 0.99 CCR5 (0.99) CCR5KCNH2
Hydrochloric Acid SCHEMBL5764570 0.99 CCR5 (0.99) CCR5KCNH2
Hydrochloric Acid SCHEMBL5763414 0.96 CCR5 (0.93) CCR5KCNH2
SCHEMBL7550592 0.96 CCR5 (0.92) CCR5KCNH2
Hydrochloric Acid SCHEMBL5764794 0.96 CCR5 (0.92) CCR5KCNH2
Hydrochloric Acid SCHEMBL5762204 0.95 CCR5 (0.91) CCR5KCNH2
Hydrochloric Acid SCHEMBL5764951 0.95 CCR5 (0.91) CCR5KCNH2
SCHEMBL7552045 0.95 CCR5 (0.91) CCR5KCNH2
SCHEMBL7543614 0.95 CCR5 (0.91) CCR5KCNH2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090675-A1 CCR5 BINDING AGENT FOR TREATMENT OF CCR5 POSITIVE METASTATIC CANCER CytoDyn Inc. (US) 2022-11-23 EP disclosed
CN-115003691-A CCR5 binding agents for the treatment of CCR5 positive metastatic carcinoma 西托戴恩股份有限公司 2022-09-02 CN disclosed
CN-114729023-A anti-CCR5 agents and methods of treatment that block cancer metastasis or enhance cell death induced by DNA damage chemotherapy 西托戴恩股份有限公司 2022-07-08 CN disclosed
US-20220162327-A1 ANTI-CCR5 AGENTS AND METHODS OF TREATMENT THAT BLOCK CANCER METASTASIS OR ENHANCE CELL DEATH INDUCED BY DNA DAMAGING CHEMOTHERAPY CYTODYN INC (US) 2022-05-26 US disclosed
CN-114502594-A Methods for treating or preventing cancer involving administration of anti-CCR5 receptor agents 西托戴恩股份有限公司 2022-05-13 CN disclosed
EP-3947431-A1 ANTI-CCR5 AGENTS AND METHODS OF TREATMENT THAT BLOCK CANCER METASTASIS OR ENHANCE CELL DEATH INDUCED BY DNA DAMAGING CHEMOTHERAPY CytoDyn Inc. (US) 2022-02-09 EP disclosed
WO-2021146323-A1 CCR5 BINDING AGENT FOR TREATMENT OF CCR5 POSITIVE METASTATIC BREAST CANCER CYTODYN INC. (US) 2021-07-22 WO disclosed
US-20210214448-A1 CCR5 BINDING AGENT FOR THE TREATMENT OF CCR5 POSITIVE METASTATIC CANCER CYTODYN INC. 2021-07-15 US disclosed
EP-3842066-A1 USE OF ANTI-CCR5 ANTIBODIES IN GRAFT VERSUS HOST DISEASE CytoDyn Inc. (US) 2021-06-30 EP disclosed
CN-111886249-A Screening method for identifying and treating HIV-1 infected patient subpopulations suitable for long-term anti-CCR 5 agent treatment 西托戴恩股份有限公司 2020-11-03 CN disclosed
WO-2020206026-A1 ANTI-CCR5 AGENTS AND METHODS OF TREATMENT THAT BLOCK CANCER METASTASIS OR ENHANCE CELL DEATH INDUCED BY DNA DAMAGING CHEMOTHERAPY CYTODYN INC. (US) 2020-10-08 WO disclosed
CN-111201034-A Methods of treating or preventing graft versus host disease involving administration of anti-CCR 5 receptor agents 西托戴恩股份有限公司 2020-05-26 CN disclosed
US-20190085086-A1 SCREENING METHODS FOR IDENTIFYING AND TREATING HIV-1 INFECTED PATIENT SUB-POPULATIONS SUITABLE FOR LONG TERM ANTI-CCR5 AGENT THERAPY CYTODYN INC (US) 2019-03-21 US disclosed
US-20190016810-A1 METHODS FOR TREATING OR PREVENTING GRAFT-VERSUS-HOST DISEASE INVOLVING THE ADMINISTRATION OF ANTI-CCR5 RECEPTOR AGENTS CYTODYN INC. 2019-01-17 US disclosed
EP-1910573-B1 METHODS FOR REDUCING VIRAL LOAD IN HIV-1-INFECTED PATIENTS CYTODYN INC (US) 2013-09-04 EP disclosed
US-6593346-B2 Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. MERCK & CO. INC. 2003-07-15 US disclosed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US 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 (1 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-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 CCR5 3/4885KCNH2 3461/4885

“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.