SCHEMBL10165540

SCHEMBL10165540

Cc1ccc2c(ccn2CCC(=O)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ FABP4 P15090 2/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ HCRTR2 O43614 1/20 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
SCHEMBL10165388 0.85 HTR2A (0.50) HTR2AHTR2CCDK4CCND1FABP4
SCHEMBL10165386 0.84 KMO (0.55) HTR2AHTR2CCDK4CCND1LMNA
SCHEMBL16234631 0.84 HTR2A (0.51) HTR2AHTR2CCDK4CCND1LMNA
SCHEMBL13345643 0.84 KMO (0.56) HTR2AHTR2CCDK4CCND1LMNA
SCHEMBL20436342 0.82 HTR2A (0.45) HTR2AHTR2CCDK4CCND1LMNA
SCHEMBL10165541 0.81 LMNA (0.65) HTR2AHTR2CCDK4CCND1LMNA
SCHEMBL15782891 0.78 HTR2A (0.51) HTR2AHTR2CCDK4CCND1FABP4
SCHEMBL11622820 0.77 HTR2A (0.57) HTR2AHTR2CCDK4CCND1MTNR1A
SCHEMBL13444442 0.76 HTR2C (0.64) HTR2AHTR2CCDK4CCND1FABP4
SCHEMBL17676473 0.75 HTR2A (0.58) HTR2AHTR2CCDK4CCND1MTNR1A

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-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 — — US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 — — US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B HTR2A 720/4885HTR2C 901/4885CDK4 4697/4885

“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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