SCHEMBL20050092

SCHEMBL20050092

O=C1C(N2CCOCC2)=CCCN1c1ccc(N2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL15731795 0.87 PIK3R1 (0.39) ALDH1A1MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL5444324 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4ETSHRL3MBTL1
SCHEMBL6330031 0.86 KMT2A (0.49) ALDH1A1MAPTSMN1; SMN2LMNATDP1
SCHEMBL29483984 0.86 RAD51 (0.51) MAPTSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL1919863 0.86 AKR1C3 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1HTT
SCHEMBL17576245 0.86 AKR1C3 (0.44) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL186752 0.85 LMNA (0.51) ALDH1A1MAPTSMN1; SMN2LMNATDP1
SCHEMBL16730262 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20694863 0.84 GSK3B (0.39) EP300KAT2B
SCHEMBL18028120 0.84 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1HTT

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-20180099963-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF UNICHEM LAB LTD (IN) 2018-04-12 — — 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-20180099963-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF HAX1, CYP4X1, HTRA1 ALDH1A1 490/4885MAPT 4264/4885SMN1; SMN2 3585/4885

“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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