SCHEMBL2958555

SCHEMBL2958555

C[C@@H]1CN(c2cc(-c3ccccc3)c(C(F)(F)F)nn2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK14 Q16539 4/20 0.37
▸ CSNK1D P48730 3/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ CHRNA7 P36544 4/20 0.37
▸ AURKA O14965 1/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ MAPK13 O15264 1/20 0.35

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
SCHEMBL2957272 1.00 HPGD (0.40) HPGDKDM4EALDH1A1NPSR1TDP1
SCHEMBL2954143 0.78 MAPK14 (0.60) ALDH1A1MAPK14CSNK1DMAPK11HTR3A
Hydrochloric Acid SCHEMBL2955401 0.77 MAPK14 (0.58) ALDH1A1MAPK14CSNK1DMAPK11HTR3A
SCHEMBL2957347 0.75 KDM4E (0.46) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL2954842 0.74 HRH3 (0.45) HPGDMAPK14CSNK1D
SCHEMBL2964566 0.71 HRH3 (0.39) HPGDMAPK14CSNK1DMAPK11GLA
SCHEMBL23744051 0.70 CHRNB4 (0.42) KMT2ACHRNA7CHRNB4CHRNA3EIF2AK4
SCHEMBL2958371 0.69 CKS1B (0.55) ALDH1A1
SCHEMBL2957199 0.68 HTR7 (0.41) KDM4EALDH1A1LMNAKMT2AMAPK14
SCHEMBL2957583 0.67 HTR7 (0.48) MAPK14CSNK1DMAPK11HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 — — US disclosed
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 — — US disclosed
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 — — US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 — — US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 — — US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 — — US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
EP-2121630-B1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-01 — — EP disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 — — US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 — — US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 — — US disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 — — 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 (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-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HPGD 2186/4885KDM4E 2363/4885ALDH1A1 1836/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HPGD 2186/4885KDM4E 2363/4885ALDH1A1 1836/4885

“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.

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