SCHEMBL1976472

SCHEMBL1976472

NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.58
CCR5 P51681 4/20 0.52
SLC6A2 P23975 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 2/20 0.50
HTR2B P41595 2/20 0.50
SLC6A3 Q01959 2/20 0.50
DPP4 P27487 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
GBA1 P04062 1/20 0.43
FUCA1 P04066 2/20 0.42

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
SCHEMBL2226943 1.00 RORC (0.58) RORCCCR5SLC6A2HTR2AHTR2C
SCHEMBL1202337 1.00 RORC (0.58) RORCCCR5SLC6A2HTR2AHTR2C
SCHEMBL7887325 0.90 CCR5 (0.62) RORCCCR5HTR2AHTR2CHTR2B
SCHEMBL2417898 0.90 CCR5 (0.62) RORCCCR5HTR2AHTR2CHTR2B
SCHEMBL1202491 0.90 CCR5 (0.62) RORCCCR5HTR2AHTR2CHTR2B
SCHEMBL1985308 0.89 RORC (0.55) RORCCCR5SLC6A2HTR2AHTR2C
SCHEMBL2017141 0.89 RORC (0.55) RORCCCR5SLC6A2HTR2AHTR2C
SCHEMBL1203067 0.87 RORC (0.59) RORCCCR5HTR2AHTR2CHTR2B
SCHEMBL1975960 0.87 RORC (0.59) RORCCCR5HTR2AHTR2CHTR2B
SCHEMBL1935588 0.87 RORC (0.59) RORCCCR5HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (2 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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 RORC 1097/4885CCR5 649/4885SLC6A2 120/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 RORC 1097/4885CCR5 649/4885SLC6A2 120/4885

“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.