SCHEMBL2408236

SCHEMBL2408236

CCC(N)CB(Oc1ccc(C)c(Cl)c1)c1ccc(C)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MAPT P10636 2/20 0.30
▸ BCDIN3D Q7Z5W3 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2408644 0.84 SCN4A (0.42) LMNADRD2DRD4DRD3SLC6A4
SCHEMBL2412697 0.74 DRD2 (0.34) SMN1; SMN2LMNACYP3A4DRD2DRD4
SCHEMBL12270806 0.73 CYP3A4 (0.36) CYP3A4ALDH1A1MAPTBCDIN3DHPGD
SCHEMBL2407527 0.70 KDM4E (0.44) LMNADRD2DRD4DRD3MAPT
SCHEMBL2406443 0.70 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1555061 0.68 CYP3A4 (0.40) SMN1; SMN2LMNACYP3A4DRD2DRD4
SCHEMBL2407451 0.67 CA4 (0.34) LMNACYP3A4HTR2AALDH1A1CYP1A2
SCHEMBL2406396 0.67 DRD2 (0.38) SMN1; SMN2LMNADRD2DRD4DRD3
SCHEMBL5377516 0.66 SMN1; SMN2 (0.40) SMN1; SMN2LMNACYP3A4DRD2DRD4
SCHEMBL2408055 0.66 CYP3A4 (0.38) SMN1; SMN2LMNACYP3A4DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 SMN1; SMN2 4119/4885LMNA 3426/4885CYP3A4 3743/4885

“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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