SCHEMBL3841236

SCHEMBL3841236

CCC1CCN(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5872162 0.89 MEN1 (0.42) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL27470019 0.83 ROCK2 (0.46) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL28806018 0.83 ROCK2 (0.46) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL28849120 0.83 ROCK2 (0.46) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL22365585 0.81 ROCK2 (0.47) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL28849104 0.81 ROCK2 (0.43) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL8427476 0.80 HTT (0.47) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL7576221 0.80 ROCK2 (0.44) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL27425418 0.79 ROCK2 (0.43) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL13150870 0.79 ROCK2 (0.39) ROCK2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
EP-2097385-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck & Co., Inc. (US) 2009-09-09 EP disclosed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ROCK2 3404/4885MEN1 2498/4885KMT2A 2855/4885

“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.