SCHEMBL20734409

SCHEMBL20734409

C[C@@H]1CNCC(C(N)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CYP2D6 P10635 1/20 0.45
NOS2 P35228 1/20 0.39
CHRNB2 P17787 15/20 0.35
CHRNA4 P43681 15/20 0.35
CHRNB4 P30926 13/20 0.35
CHRNA3 P32297 13/20 0.35
CHRNA7 P36544 12/20 0.35
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20734387 1.00 KDM4E (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL20808834 1.00 KDM4E (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL20809274 1.00 KDM4E (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL20734516 1.00 KDM4E (0.45) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL28513739 0.98 KDM4E (0.44) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL25277658 0.80 CYP2D6 (0.45) CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16579395 0.80 CYP2D6 (0.45) CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10179987 0.80 CYP2D6 (0.45) CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9977121 0.80 CHRNB2 (0.36) NOS2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26925512 0.80 CYP2D6 (0.45) CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377714-B2 Trans-isomeric heterocyclic compounds and preparation thereof TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2019-08-13 US disclosed
WO-2019048923-A2 TRANS-ISOMERIC HETEROCYCLIC COMPOUNDS AND PREPARATION THEREOF TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2019-03-14 WO disclosed
US-20190047956-A1 TRANS-ISOMERIC HETEROCYCLIC COMPOUNDS AND PREPARATION THEREOF TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2019-02-14 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-10377714-B2 Trans-isomeric heterocyclic compounds and preparation thereof C1S, FURIN, C5 KDM4E 4699/4885MAPT 2716/4885KMT2A 4354/4885
US-20190047956-A1 TRANS-ISOMERIC HETEROCYCLIC COMPOUNDS AND PREPARATION THEREOF C1S, FURIN, C5 KDM4E 4699/4885MAPT 2716/4885KMT2A 4354/4885

“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.