SCHEMBL3104041

SCHEMBL3104041

O=C(c1ccc(N2CCCCC2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.51
TET3 O43151 1/20 0.51
FBXL19 Q6PCT2 1/20 0.51
CXXC5 Q7LFL8 1/20 0.51
TET1 Q8NFU7 1/20 0.51
KDM2B Q8NHM5 1/20 0.51
CXXC4 Q9H2H0 1/20 0.51

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
SCHEMBL3102395 0.99 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDLMNANPC1
SCHEMBL3097606 0.89 TSHR (0.58) SMN1; SMN2ALDH1A1HPGDTP53MAPT
SCHEMBL3110127 0.88 POLB (0.52) SMN1; SMN2ALDH1A1HPGDLMNAHSD17B10
SCHEMBL3099738 0.86 KDM4E (0.53) SMN1; SMN2ALDH1A1LMNATSHRHSD17B10
SCHEMBL3101546 0.83 ALDH1A1 (0.59) ALDH1A1HPGDLMNATSHRKMT2A
SCHEMBL3101764 0.82 MAPK1 (0.62) SMN1; SMN2ALDH1A1HPGDLMNATP53
SCHEMBL3229607 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HPGDLMNATP53
SCHEMBL3098740 0.81 KMT2A (0.48) ALDH1A1HPGDLMNATP53TSHR
SCHEMBL7901820 0.81 TSHR (0.46) SMN1; SMN2ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL14080354 0.81 KMT2A (0.50) SMN1; SMN2ALDH1A1HPGDLMNATSHR

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-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 SMN1; SMN2 1960/4885ALDH1A1 480/4885HPGD 1256/4885

“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.