SCHEMBL14078053

SCHEMBL14078053

CO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 4/20 0.47
▸ PRKAB2 O43741 2/20 0.47
▸ PRKAG1 P54619 2/20 0.47
▸ PRKAA1 Q13131 2/20 0.47
▸ PRKAG3 Q9UGI9 2/20 0.47
▸ PRKAG2 Q9UGJ0 2/20 0.47
▸ PRKAB1 Q9Y478 2/20 0.47
▸ CCR5 P51681 1/20 0.43
▸ PIK3CA P42336 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13392099 1.00 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13392111 0.91 TACR2 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14188217 0.91 TACR2 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14077856 0.90 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13392020 0.90 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13392115 0.90 ACKR3 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14188203 0.90 ACKR3 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14078587 0.89 L3MBTL1 (0.47) CCR5POLBGAAACKR3KDM4E
SCHEMBL13392194 0.89 CYP3A4 (0.44) —
SCHEMBL14188233 0.89 CYP3A4 (0.44) —

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
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — 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-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 PRKAA2 3863/4885PRKAB2 2895/4885PRKAG1 1824/4885

“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.

Send feedback