SCHEMBL14188217

SCHEMBL14188217

CO/N=C(\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 2/20 0.41
▸ TACR1 P25103 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL13392111 1.00 TACR2 (0.41) TACR2TACR1CHRM4PRKAA2PRKAB2
SCHEMBL13392099 0.91 PRKAA2 (0.47) CHRM4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL14078053 0.91 PRKAA2 (0.47) CHRM4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13409996 0.90 CHRM4 (0.42) CHRM4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13391370 0.88 CYP3A4 (0.49) CYP3A4
SCHEMBL13392115 0.88 ACKR3 (0.41) CHRM4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL14188203 0.88 ACKR3 (0.41) CHRM4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL14078589 0.87 ADRB2 (0.44) KDM4EPOLBTSHRCYP2D6ALDH1A1
SCHEMBL13392088 0.87 ADRB2 (0.44) KDM4EPOLBTSHRCYP2D6ALDH1A1
SCHEMBL13392097 0.86 KDM4E (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR2 23/4885TACR1 21/4885CHRM4 214/4885

“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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