SCHEMBL24322920

SCHEMBL24322920

O=C([C@H]1CCCNC1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
TSHR P16473 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
POLB P06746 1/20 0.56
CYP2C19 P33261 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ADRB2 P07550 1/20 0.52
PARP1 P09874 1/20 0.52
TP53 P04637 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL6180605 0.84 KMT2A (0.68) KMT2ATSHRMEN1ALDH1A1L3MBTL1
SCHEMBL10947749 0.84 KMT2A (0.76) KMT2ATSHRMEN1ALDH1A1L3MBTL1
SCHEMBL21788565 0.82 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1L3MBTL1CYP2C19
SCHEMBL5080239 0.82 KMT2A (0.78) KMT2ATSHRMEN1ALDH1A1L3MBTL1
SCHEMBL24324292 0.81 KHK (0.61) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL9763185 0.79 SLC6A1 (0.59) KMT2ATSHRALDH1A1L3MBTL1KDM4E
Bromide SCHEMBL9763700 0.78 SLC6A1 (0.57) KMT2ATSHRALDH1A1L3MBTL1KDM4E
SCHEMBL8917273 0.78 KDM4E (0.66) KMT2ATSHRMEN1ALDH1A1L3MBTL1
SCHEMBL24322564 0.77 HSD11B1 (0.67) KMT2ATSHRALDH1A1L3MBTL1KDM4E
SCHEMBL1945424 0.77 ALDH1A1 (0.51) KMT2ATSHRMEN1ALDH1A1L3MBTL1

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN KMT2A 3149/4885TSHR 1902/4885MEN1 786/4885

“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.