SCHEMBL22015092

SCHEMBL22015092

C[C@@]12CNC[C@]1(C)CN(c1ccc(N3CCN(S(C)(=O)=O)CC3)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 3/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL23701474 0.81 MAPT (0.50) HIF1ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL23701395 0.78 GAA (0.50) SMN1; SMN2MEN1KMT2AUSP2POLB
SCHEMBL23701397 0.78 GAA (0.50) SMN1; SMN2MEN1KMT2AUSP2POLB
SCHEMBL82680 0.76 MEN1 (0.69) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL23732385 0.76 GPR119 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19POLB
SCHEMBL31055744 0.76 GPR119 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19POLB
SCHEMBL1926789 0.75 MAPT (0.58) CYP1A2CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL22015789 0.75 ALDH1A1 (0.50) CYP1A2SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL6152910 0.75 MAPT (0.58) CYP1A2CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL20004452 0.75 POLB (0.54) CYP1A2CYP2D6SMN1; SMN2MEN1KMT2A

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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 (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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 HIF1A 1578/4885CYP1A2 112/4885CYP2D6 133/4885

“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.