SCHEMBL17084100

SCHEMBL17084100

Cc1ccc(CN2C[C@H](c3ccccc3)[C@@H](C(C)C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
RORC P51449 2/20 0.49
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
CCR5 P51681 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
BCHE P06276 1/20 0.43
HRH1 P35367 1/20 0.41
KDM1A O60341 1/20 0.41
GBA1 P04062 1/20 0.41
FAAH O00519 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17084171 1.00 LMNA (0.50) LMNAPOLBRORCS1PR1S1PR5
SCHEMBL14278226 0.91 RORC (0.56) RORCCCR5ACHEKDM1A
SCHEMBL12303419 0.80 RORC (0.64) RORCS1PR1S1PR5CCR5KDM1A
SCHEMBL12303418 0.80 RORC (0.64) RORCS1PR1S1PR5CCR5KDM1A
SCHEMBL8089289 0.80 RORC (0.64) RORCS1PR1S1PR5CCR5KDM1A
SCHEMBL8089286 0.80 RORC (0.64) RORCS1PR1S1PR5CCR5KDM1A
SCHEMBL19368216 0.79 HRH3 (0.42) RORCCCR5KDM1A
SCHEMBL17084174 0.78 RORC (0.39) RORCCCR5
SCHEMBL15081931 0.78 GRIA2 (0.38) RORC
SCHEMBL15082022 0.78 GRIA2 (0.38) RORC

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-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 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-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 LMNA 4615/4885POLB 2222/4885RORC 2754/4885

“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.