SCHEMBL22639728

SCHEMBL22639728

C[C@H](CN1CCN(c2ccccn2)CC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.57
▸ DRD2 P14416 1/20 0.56
▸ DRD4 P21917 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ IGF1R P08069 1/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ ADRB1 P08588 1/20 0.54

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
SCHEMBL22639898 1.00 HTR1A (0.57) HTR1ADRD2DRD4NPSR1THRB
SCHEMBL30874651 0.83 IGF1R (0.64) HTR1ADRD4NPSR1LMNASMN1; SMN2
SCHEMBL10147158 0.83 IGF1R (0.59) HTR1ADRD2DRD4LMNASMN1; SMN2
SCHEMBL6351216 0.82 DRD4 (0.69) HTR1ADRD2DRD4NPSR1LMNA
SCHEMBL4491439 0.80 IGF1R (0.56) HTR1ADRD2DRD4LMNASMN1; SMN2
SCHEMBL4486168 0.80 IGF1R (0.56) HTR1ADRD2DRD4LMNASMN1; SMN2
SCHEMBL19003598 0.80 IGF1R (0.56) HTR1ADRD2DRD4LMNASMN1; SMN2
SCHEMBL11004965 0.80 KMT2A (0.56) DRD2DRD4NPSR1THRBLMNA
SCHEMBL11063217 0.79 SMN1; SMN2 (0.62) NPSR1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL5174282 0.79 NPSR1 (0.71) HTR1ADRD2DRD4NPSR1THRB

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 — — 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 HTR1A 3508/4885DRD2 4668/4885DRD4 4634/4885

“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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