SCHEMBL6795896

SCHEMBL6795896

Clc1ccc(CN2CCCC2)cc1Cl

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.96
SMN1; SMN2 Q16637 1/20 0.96
SIGMAR1 Q99720 7/20 0.73
HRH3 Q9Y5N1 3/20 0.65
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
HRH4 Q9H3N8 1/20 0.59
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL24023501 0.98 POLB (1.00) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1
SCHEMBL13293705 0.98 POLB (1.00) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1
SCHEMBL30596563 0.98 POLB (1.00) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1
SCHEMBL24023500 0.98 POLB (1.00) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1
SCHEMBL5794134 0.93 POLB (0.83) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1
SCHEMBL10897828 0.85 CXCR4 (0.76) POLBSMN1; SMN2SIGMAR1HRH3
SCHEMBL2094810 0.85 POLB (0.71) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1
SCHEMBL980493 0.85 SMN1; SMN2 (0.71) POLBSMN1; SMN2SIGMAR1ALDH1A1KDM4E
SCHEMBL24023627 0.85 SIGMAR1 (1.00) POLBSMN1; SMN2SIGMAR1HTTCYP2D6
SCHEMBL5618352 0.85 SMN1; SMN2 (0.71) POLBSMN1; SMN2SIGMAR1HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
CN-104169258-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 CN disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP POLB 4759/4885SMN1; SMN2 2485/4885SIGMAR1 4383/4885

“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.