SCHEMBL16982082

SCHEMBL16982082

CN1CCN(c2nc(C(=O)O)c[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HRH4 Q9H3N8 4/20 0.38
▸ CHEK1 O14757 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ PIM1 P11309 1/20 0.36

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
SCHEMBL21451017 0.83 KMT2A (0.41) HTR3AKDM4EHRH4ALDH1A1MEN1
SCHEMBL13605183 0.70 HRH4 (0.50) HTR3AHRH4MEN1KMT2AHTR3E
SCHEMBL4505999 0.70 KDM4E (0.43) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL8215737 0.70 PTGS2 (0.40) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL17794220 0.70 HRH4 (0.50) HTR3AKDM4EHRH4ALDH1A1MEN1
SCHEMBL170375 0.69 — —
SCHEMBL31078509 0.68 PIM2 (0.47) HTR3AKDM4EHRH4CHEK1ALDH1A1
SCHEMBL2638000 0.68 HTR3A (0.58) HTR3AKDM4EHRH4ALDH1A1MEN1
SCHEMBL17373753 0.68 GSK3B (0.45) KDM4EGLAHTTCHEK1ALDH1A1
Water SCHEMBL2643978 0.67 HCAR2 (0.41) KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358443-B2 Heteroaryl amides as inhibitors of protein aggregation UCB BIOPHARMA SPRL (BE) 2019-07-23 — — US disclosed
US-20180093979-A1 HETEROARYL AMIDES AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2018-04-05 — — US disclosed
EP-3099684-B1 HETEROARYL AMIDES AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES INC (US) 2018-04-04 — — EP disclosed
US-9738635-B2 Heteroaryl amides as inhibitors of protein aggregation NEUROPORE THERAPIES, INC. (US) 2017-08-22 — — US disclosed
US-20160207912-A1 HETEROARYL AMIDES AS INHIBITORS OF PROTEIN AGGREGATION UCB BIOPHARMA SPRL (BE) 2016-07-21 — — US disclosed
WO-2015116663-A1 HETEROARLY AMIDES AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2015-08-06 — — WO 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 (3 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-20180093979-A1 HETEROARYL AMIDES AS INHIBITORS OF PROTEIN AGGREGATION HTT, PARK7, UACA HTR3A 445/4885KDM4E 1702/4885GLA 908/4885
US-10358443-B2 Heteroaryl amides as inhibitors of protein aggregation HTT, PARK7, UACA HTR3A 445/4885KDM4E 1702/4885GLA 908/4885
US-20160207912-A1 HETEROARYL AMIDES AS INHIBITORS OF PROTEIN AGGREGATION HTT, PARK7, UACA HTR3A 445/4885KDM4E 1702/4885GLA 908/4885

“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.

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