SCHEMBL17858977

SCHEMBL17858977

C=CC[C@]1(CNC(=O)OC(C)(C)C)OCCN(C(=O)c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
NPC1L1 Q9UHC9 7/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
AVPR1A P37288 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 1/20 0.35
TSHR P16473 1/20 0.35
HCRTR2 O43614 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
F2 P00734 1/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34

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
SCHEMBL17837282 0.86 NAAA (0.36) ALDH1A1MAPTPOLBADRB2TSHR
SCHEMBL17837266 0.83 NPC1L1 (0.36) NPFFR1NPFFR2NPC1L1ALDH1A1MAPT
SCHEMBL28562892 0.81 NAAA (0.38) ALDH1A1MAPTPOLBADRB2TSHR
SCHEMBL21386027 0.81 NAAA (0.38) ALDH1A1MAPTPOLBADRB2TSHR
SCHEMBL28562889 0.81 NAAA (0.38) ALDH1A1MAPTPOLBADRB2TSHR
SCHEMBL22127489 0.80 NPC1L1 (0.36) NPFFR1NPFFR2NPC1L1ALDH1A1KDM4E
SCHEMBL22127490 0.80 NPC1L1 (0.36) NPFFR1NPFFR2NPC1L1ALDH1A1KDM4E
SCHEMBL17858904 0.80 NPC1L1 (0.38) NPFFR1NPFFR2NPC1L1L3MBTL1KDM4E
SCHEMBL29607523 0.80 KDM4E (0.38) NPFFR1NPFFR2NPC1L1ALDH1A1KDM4E
SCHEMBL29607803 0.80 NPC1L1 (0.36) NPFFR1NPFFR2NPC1L1ALDH1A1KDM4E

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-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-05 US disclosed
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 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-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 NPFFR1 3590/4885NPFFR2 3251/4885NPC1L1 2731/4885
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 NPFFR1 3627/4885NPFFR2 3325/4885NPC1L1 2714/4885

“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.