SCHEMBL30701798

SCHEMBL30701798

Cc1ccnc(-c2cc(CCCCBr)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
METAP2 P50579 1/20 0.41
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
CYP2A6 P11509 1/20 0.38
UHRF1 Q96T88 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL1255405 1.00 CCR1 (0.55) CCR1CCR5CCR8METAP2FAAH
SCHEMBL29531413 0.98 CCR1 (0.53) CCR1CCR5CCR8METAP2FAAH
SCHEMBL3031381 0.98 CCR1 (0.53) CCR1CCR5CCR8METAP2FAAH
SCHEMBL17351617 0.98 CCR1 (0.53) CCR1CCR5CCR8METAP2FAAH
SCHEMBL2398201 0.98 CCR1 (0.53) CCR1CCR5CCR8METAP2FAAH
Dipyridyl SCHEMBL699785 0.90 CCR1 (0.45) CCR1CCR5CCR8METAP2FAAH
Dipyridyl SCHEMBL5007665 0.90 CCR1 (0.45) CCR1CCR5CCR8METAP2FAAH
Dipyridyl SCHEMBL6503947 0.86 CCR1 (0.41) CCR1CCR5CCR8FAAHCES1
Dipyridyl SCHEMBL3126694 0.85 CCR1 (0.40) CCR1CCR5CCR8FAAHCES1
SCHEMBL23037127 0.84 CCR1 (0.71) CCR1CCR5CCR8METAP2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112505023-B Method for improving electrochemiluminescence signal in bioassay 周明 2024-08-23 CN claimed
US-12372474-B2 Branched-chain amines in electrochemiluminescence detection ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2025-07-29 US disclosed
CN-112505023-B Method for improving electrochemiluminescence signal in bioassay 周明 2024-08-23 CN disclosed
US-20240044804-A9 BRANCHED-CHAIN AMINES IN ELECTROCHEMILUMINESCENCE DETECTION ROCHE DIAGNOSTICS OPERATIONS, INC. 2024-02-08 US disclosed
EP-3426398-B1 BRANCHED-CHAIN AMINES IN ELECTROCHEMILUMINESCENCE DETECTION ROCHE DIAGNOSTICS GMBH (DE) 2024-01-24 EP 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-12372474-B2 Branched-chain amines in electrochemiluminescence detection BCAT2, BCAT1, MAOB CCR1 3972/4885CCR5 1646/4885CCR8 2985/4885
US-20240044804-A9 BRANCHED-CHAIN AMINES IN ELECTROCHEMILUMINESCENCE DETECTION BCAT2, BCAT1, MAOB CCR1 4138/4885CCR5 1706/4885CCR8 3254/4885

“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.