SCHEMBL4591580

SCHEMBL4591580

CC1(O)CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 3/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
TNIK Q9UKE5 1/20 0.48
OPRL1 P41146 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
HPGD P15428 2/20 0.46
GPR183 P32249 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL1427542 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBTNIKMMP1
SCHEMBL24266769 0.83 THRB (0.47) KCNH2
SCHEMBL17108495 0.83 LMNA (0.59) ALDH1A1KDM4EPOLBOPRM1OPRK1
SCHEMBL3859171 0.83 SIGMAR1 (0.49) POLBOPRM1OPRK1OPRL1LTA4H
SCHEMBL26656812 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBTNIKMMP1
SCHEMBL27042925 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBTNIKHPGD
SCHEMBL653329 0.82 OPRL1 (0.67) ALDH1A1POLBOPRM1OPRK1OPRL1
SCHEMBL1427267 0.81 TNIK (0.47) ALDH1A1KDM4EPOLBTNIKSMN1; SMN2
SCHEMBL1427587 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBTNIKMMP1
SCHEMBL4591704 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTNIKMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022094-A1 Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2026-01-22 US disclosed
EP-4558480-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2025-05-28 EP disclosed
CN-120019042-A Compounds for the treatment of neurodegenerative diseases 细胞基因公司 2025-05-16 CN disclosed
WO-2024019957-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-01-25 WO disclosed
WO-2024019957-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-01-25 WO disclosed
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ALDH1A1 3960/4885KDM4E 1313/4885POLB 3623/4885
US-20260022094-A1 Compounds for the Treatment of Neurodegenerative Diseases S1PR5, CLN6, S1PR1 ALDH1A1 1518/4885KDM4E 2571/4885POLB 4502/4885

“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.