SCHEMBL19985859

SCHEMBL19985859

O=C(O)[C@H]1CN(Cc2ccccc2)C(=O)CC1c1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
DPP4 P27487 3/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7247091 0.88 HTT (0.60) HPGDTSHRSMN1; SMN2HTTDPP4
SCHEMBL7247095 0.88 HTT (0.60) HPGDTSHRSMN1; SMN2HTTDPP4
SCHEMBL7247085 0.88 HTT (0.60) HPGDTSHRSMN1; SMN2HTTDPP4
SCHEMBL19985860 0.86 ALDH1A1 (0.46) HPGDTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL19972421 0.85 PDE4A (0.52) HPGDTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL19972419 0.85 PDE4A (0.52) HPGDTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL19972374 0.85 PDE4A (0.52) HPGDTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL19985850 0.81 DPP4 (0.51) HPGDTSHRSMN1; SMN2HTTDPP4
SCHEMBL15488963 0.77 HPGD (0.55) HPGDTSHRSMN1; SMN2HTTDPP4
SCHEMBL19985866 0.77 KMT2A (0.46) HPGDTSHRSMN1; SMN2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 HPGD 104/4885TSHR 1909/4885SMN1; SMN2 2418/4885

“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.