SCHEMBL6908039

SCHEMBL6908039

COc1cc(NCC2(CNCc3c(Cc4ccccc4)[nH]c4ccccc34)CCCCC2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
MCHR1 Q99705 1/20 0.37
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 0.36
TUBA1C Q9BQE3 3/20 0.36
TUBB6 Q9BUF5 3/20 0.36
TUBB2B Q9BVA1 3/20 0.36
TUBB1 Q9H4B7 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HPGD P15428 3/20 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
SCHEMBL6908046 0.77 MCHR1 (0.41) SLC2A1MCHR1TUBB4ATUBBTUBA3C
SCHEMBL6621444 0.75 SLC2A1 (0.41) SLC2A1MCHR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL6605276 0.75 SLC2A1 (0.54) SLC2A1MCHR1HPGDALDH1A1KDM4E
SCHEMBL6621445 0.73 SLC2A1 (0.42) SLC2A1MCHR1ALDH1A1MEN1KMT2A
SCHEMBL6607445 0.67 SLC2A1 (0.54) SLC2A1HPGDKDM4ESMN1; SMN2APP
SCHEMBL6620928 0.63 SLC2A1 (0.50) SLC2A1MCHR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28813987 0.61 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6619967 0.60 MC1R (0.50) SLC2A1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL31034424 0.60 HPGD (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7811044 0.60 SLC2A1 (0.54) SLC2A1MCHR1HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR SLC2A1 3284/4885MCHR1 499/4885TUBB4A 4038/4885

“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.