SCHEMBL21744423

SCHEMBL21744423

C=CCNCC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.35
DRD1 P21728 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNH3 Q9ULD8 1/20 0.31
NAMPT P43490 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17291834 0.84 KMT2A (0.41) MAPTKMT2ADRD1ALDH1A1
SCHEMBL2712275 0.84
SCHEMBL10475292 0.80 ADH1B (0.46) KMT2ADRD1RAB9AEPHX2ALDH1A1
SCHEMBL26027071 0.80 SAT1 (0.33)
SCHEMBL5360130 0.79 KCNH3 (0.37) RAB9AEPHX2KCNH3NAMPTALDH1A1
SCHEMBL5545183 0.78 ADH1B (0.50) KMT2ADRD1EPHX2ALDH1A1
SCHEMBL25845711 0.76 SAT1 (0.38) NAMPT
SCHEMBL28707592 0.76 NPC1 (0.34) RAB9AEPHX2KCNH3NAMPT
SCHEMBL3259366 0.75 GNAI3 (0.44) KMT2AEPHX2
SCHEMBL10399362 0.75 KMT2A (0.35) KMT2AALDH1A1

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-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
EP-3978076-A1 CYCLIC AMIDE COMPOUNDS FOR RABIES TREATMENT AND METHOD THEREOF Oita University Institute of Advanced Medicine, Inc. (JP) 2022-04-06 EP disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MAPT 3787/4885KMT2A 4253/4885DRD1 4283/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MAPT 3787/4885KMT2A 4253/4885DRD1 4283/4885

“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.