SCHEMBL17177147

SCHEMBL17177147

CC1(C)CCN(C(=O)C2CCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.59
HSD11B1 P28845 6/20 0.55
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.40
CCR5 P51681 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
SCHEMBL17177244 0.92 GRM5 (0.49) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL17809474 0.90 ALDH1A1 (0.57) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL25810399 0.86 ALDH1A1 (0.63) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL25840964 0.85 ALDH1A1 (0.67) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL25810400 0.82 HSD11B1 (0.66) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL25810394 0.82 HPGD (0.56) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL17173065 0.81 GRM5 (0.51) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL17173068 0.81 GRM5 (0.51) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL26197364 0.81 GRM5 (0.74) GRM5HSD11B1ALDH1A1TSHRHPGD
SCHEMBL25668250 0.80 GRM5 (0.63) GRM5HSD11B1ALDH1A1TSHRHPGD

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-9260439-B2 Dihydropyrrolopyrimidine derivatives PFIZER INC. (US) 2016-02-16 US disclosed
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER (US) 2015-10-15 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-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES DPYD, TPD52L2, DTYMK GRM5 3893/4885HSD11B1 4200/4885ALDH1A1 851/4885

“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.