SCHEMBL9969576

SCHEMBL9969576

COC1CCCN(CCF)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.40
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.36
LTA4H P09960 1/20 0.33
HRH1 P35367 1/20 0.33
DRD4 P21917 2/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL12939844 1.00 KDM2B (0.40) KDM2BPOLBADORA2ALTA4HHRH1
SCHEMBL12939842 0.89 POLB (0.36) KDM2BPOLB
SCHEMBL9969575 0.89 POLB (0.36) KDM2BPOLB
SCHEMBL23976236 0.89 GRIN1 (0.37) KDM2BLTA4H
SCHEMBL2249716 0.85 ALOX15 (0.38) POLBADORA2ALTA4HHRH1DRD4
Hydrochloric Acid SCHEMBL18225448 0.84 POLB (0.37) POLBADORA2ALTA4H
SCHEMBL12021790 0.83 DRD2 (0.47) KDM2BDRD4DRD2DRD1DRD5
SCHEMBL23158163 0.83 DRD2 (0.47) KDM2BDRD4DRD2DRD1DRD5
SCHEMBL19617090 0.81 ALDH1A1 (0.40) KDM2BPOLB
SCHEMBL23640637 0.81 KDM2B (0.40) KDM2BPOLBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
CN-102070608-A 4-substituted phenylamino-7-substituted alkoxy-quinazoline derivant and preparation method and application thereof TIANJIN INST PHARM RESEARCH 2011-05-25 CN disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC KDM2B 4851/4885POLB 1225/4885ADORA2A 2521/4885

“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.