SCHEMBL2936677

SCHEMBL2936677

c1ccc(C[C@H]2CNC[C@H]2CNc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
PGR P06401 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
REN P00797 7/20 0.40
CTSD P07339 2/20 0.40
CTSE P14091 2/20 0.40
PGC P20142 2/20 0.40
FFAR1 O14842 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL2937708 0.87 GBA1 (0.53) GBA1RENCTSDCTSEPGC
SCHEMBL2931636 0.87 MEN1 (0.48) GBA1MEN1GAAKMT2AMAPT
SCHEMBL2936937 0.83 REN (0.58) GBA1ALDH1A1MEN1GAAKMT2A
SCHEMBL2932910 0.80 GBA1 (0.43) GBA1KMT2ARENCTSDCTSE
SCHEMBL2936675 0.80 HPGD (0.56) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3613536 0.74 ACHE (0.46) GBA1RENCTSDCTSEPGC
SCHEMBL3613539 0.74 ACHE (0.46) GBA1RENCTSDCTSEPGC
SCHEMBL3910632 0.73 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8223739 0.73 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8228607 0.72 HTR2C (0.53) GBA1MEN1KMT2ARENCTSD

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US claimed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD GBA1 1130/4885PGR 1099/4885ALDH1A1 494/4885

“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.