SCHEMBL21114708

SCHEMBL21114708

CC(C)(C)OC(=O)N(CC1CCN(C(=O)O)C(C(C)(C)C)C1)C1CC1c1ccc2c(c1)CCN2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.35
EZH2 Q15910 3/20 0.34
MAOA P21397 1/20 0.34
EZH1 Q92800 1/20 0.34
KDM1A O60341 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28767601 0.90 ACHE (0.39) ACHEEZH2MAOAEZH1KDM1A
SCHEMBL21114613 0.85 GPR119 (0.40) ACHEEZH2ALDH1A1CYP2C9ALOX15
SCHEMBL21155772 0.85 GPR119 (0.40) ACHEEZH2ALDH1A1CYP2C9ALOX15
SCHEMBL19725554 0.85 GPR119 (0.40) ACHEEZH2ALDH1A1CYP2C9ALOX15
SCHEMBL19725556 0.83 KDM1A (0.39) ACHEEZH2MAOAEZH1KDM1A
SCHEMBL28700718 0.71 GPR119 (0.43) EZH2MAOAEZH1KDM1AHDAC8
SCHEMBL28767609 0.70 KDM1A (0.48) MAOAKDM1A
SCHEMBL18845512 0.70 KDM1A (0.43) EZH2MAOAKDM1AHDAC8HDAC6
SCHEMBL12832563 0.70 KDM1A (0.39) MAOAKDM1A
SCHEMBL19725466 0.69 KDM1A (0.43) EZH2MAOAEZH1KDM1A

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-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-01-16 US disclosed
US-20190210998-A1 TRANS-INDOLINE CYCLOPROPYLAMINE CHEMICAL COMPOUND, AND METHOD FOR PREPARATION, PHARMACEUTICAL COMPOSITION, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-11 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-20190210998-A1 TRANS-INDOLINE CYCLOPROPYLAMINE CHEMICAL COMPOUND, AND METHOD FOR PREPARATION, PHARMACEUTICAL COMPOSITION, AND USE THEREOF INMT, IDO1, TPH1 ACHE 794/4885EZH2 124/4885MAOA 197/4885
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof INMT, IDO1, TPH1 ACHE 794/4885EZH2 124/4885MAOA 197/4885

“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.