SCHEMBL6246241

SCHEMBL6246241

Cc1cc(CN2CCN(C(=O)CO)CC2)c(C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GRIN2B Q13224 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL6463797 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6246791 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4501280 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6464938 0.77 LMNA (0.54) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6243880 0.76 LMNA (0.53) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6248779 0.76 LMNA (0.39) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6400205 0.76 LMNA (0.53) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6245349 0.76 LMNA (0.39) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6245599 0.75 KDM4E (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6248128 0.75 LMNA (0.52) ALDH1A1KDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 — — US disclosed
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 — — US disclosed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 — — EP disclosed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 — — EP disclosed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 — — US disclosed
WO-2004039377-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO disclosed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 — — US disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 — — 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 (2 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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 ALDH1A1 1416/4885KDM4E 3717/4885POLB 4429/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 ALDH1A1 622/4885KDM4E 3866/4885POLB 4395/4885

“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.

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