SCHEMBL18232425

SCHEMBL18232425

CC(C)c1ccc(CC(=O)N(CCCN)CCCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC3R P41968 5/20 0.52
MC4R P32245 4/20 0.52
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MC5R P33032 4/20 0.44
CNR2 P34972 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
REN P00797 1/20 0.38
NLRP3 Q96P20 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL18235814 0.84 MC4R (0.54) MC3RMC4RPOLBAPEX1TDP1
SCHEMBL22566158 0.79 MC3R (0.58) MC3RMC4RMC5RCNR2CA12
SCHEMBL18232428 0.73 PDK2 (0.56) CNR2CA1CA2NLRP3HPGD
SCHEMBL16280268 0.73 IDO1 (0.50) IDO1
SCHEMBL7320232 0.72 REN (0.55) MC3RMC4RRENHDAC3HDAC4
Trifluoroacetic Acid SCHEMBL29921952 0.72 MC3R (0.51) MC3RMC4RPOLBAPEX1TDP1
SCHEMBL7319791 0.72 REN (0.50) MC3RMC4RRENHDAC3HDAC4
SCHEMBL24648946 0.71 MAOA (0.54) IDO1
Hydrochloric Acid SCHEMBL4938620 0.71 IDO1 (0.52) IDO1
SCHEMBL2016585 0.71 CA2 (0.57) CNR2CA2NLRP3IDO1

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
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC MC3R 638/4885MC4R 349/4885POLB 814/4885

“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.