SCHEMBL1975922

SCHEMBL1975922

Cc1cc(C2CN(Cc3ccccc3)CC2N)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.58
S1PR1 P21453 9/20 0.45
CCR5 P51681 2/20 0.42
RORC P51449 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
FUCA1 P04066 2/20 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
SCHEMBL1975920 1.00 DPP4 (0.58) DPP4S1PR1CCR5RORCSIGMAR1
SCHEMBL1974674 0.90 DPP4 (0.58) DPP4CCR5RORCSIGMAR1DRD2
SCHEMBL1974670 0.90 DPP4 (0.58) DPP4CCR5RORCSIGMAR1DRD2
SCHEMBL1975608 0.88 DPP4 (0.62) DPP4S1PR1CCR5RORCSIGMAR1
SCHEMBL1975666 0.88 DPP4 (0.62) DPP4S1PR1CCR5RORCSIGMAR1
SCHEMBL1975606 0.88 DPP4 (0.62) DPP4S1PR1CCR5RORCSIGMAR1
SCHEMBL1974964 0.85 RORC (0.49) DPP4S1PR1CCR5RORCSIGMAR1
SCHEMBL1937592 0.85 DPP4 (0.58) DPP4CCR5RORCSIGMAR1DRD2
SCHEMBL1986052 0.85 DPP4 (0.58) DPP4CCR5RORCSIGMAR1DRD2
SCHEMBL1974966 0.82 DPP4 (0.42) DPP4S1PR1CCR5RORCSIGMAR1

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-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
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 DPP4 999/4885S1PR1 530/4885CCR5 649/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 DPP4 999/4885S1PR1 530/4885CCR5 649/4885

“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.