SCHEMBL12461671

SCHEMBL12461671

CN1CCN(c2nnc(C(=O)O)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 3/20 0.40
▸ PKM P14618 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ HRH4 Q9H3N8 5/20 0.37
▸ CHEK1 O14757 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL2148285 0.79 POLB (0.42) PKMPIM1MEN1KMT2AALDH1A1
SCHEMBL10752092 0.67 LMNA (0.44) CYP3A4CYP2C9KDM4E
SCHEMBL16982082 0.67 HTR3A (0.41) HTR3APIM1HRH4CHEK1MEN1
SCHEMBL14770091 0.62 — —
SCHEMBL16982109 0.62 POLB (0.42) —
Bicarbonate SCHEMBL16668956 0.62 CYP1A2 (0.58) ALDH1A1CYP1A2KDM4EHTT
SCHEMBL64557 0.61 NPC1 (0.47) HTR3AHRH4NPC1RAB9AALDH1A1
SCHEMBL4174000 0.61 PIM1 (0.39) HTR3APIM1HRH4MEN1KMT2A
SCHEMBL2800959 0.60 PRKAB2 (0.39) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL23960950 0.60 CHEK1 (0.48) HTR3ACHEK1MEN1KMT2ANPC1

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
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. 2014-12-11 — — US disclosed
US-8846682-B2 Compound suitable for the treatment of synucleopathies NEUROPORE THERAPIES, INC. (US) 2014-09-30 — — US disclosed
US-20130035342-A1 Compound Suitable for the Treatment of Synucleopathies NEUROPORE THERAPIES, INC. (US) 2013-02-07 — — US disclosed
WO-2011084642-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. (US) 2011-07-14 — — 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 (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-20130035342-A1 Compound Suitable for the Treatment of Synucleopathies SNCA, HTT, SMN1; SMN2 HTR3A 1462/4885PKM 2644/4885PIM1 4062/4885
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES SNCA, HTT, MAPT HTR3A 1803/4885PKM 552/4885PIM1 2939/4885

“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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