SCHEMBL17069505

SCHEMBL17069505

Cc1cccc(-c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
POLB P06746 1/20 0.43
GRIN2B Q13224 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
P2RX3 P56373 1/20 0.41
TACR1 P25103 1/20 0.41
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP19 O94966 1/20 0.39
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL17069490 0.88 GRIN2B (0.51) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063393 0.86 P2RX3 (0.46) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063373 0.85 KDM5C (0.44) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063475 0.84 GRIN2B (0.46) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17069503 0.84 F2 (0.47) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063239 0.84 CHRNB2 (0.44) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063404 0.83 WNT1 (0.48) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063329 0.83 CHRNB2 (0.44) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063274 0.83 KDM5C (0.42) F2POLBGRIN2BCHRNB2CHRNB4
SCHEMBL17063310 0.82 F2 (0.42) F2POLBGRIN2BCHRNB2CHRNB4

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-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 US disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 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-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG F2 4860/4885POLB 3179/4885GRIN2B 1184/4885

“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.