SCHEMBL14137697

SCHEMBL14137697

Cc1cc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ACHE P22303 1/20 0.46
AKR1C3 P42330 1/20 0.44
DHFR P00374 1/20 0.42
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
MLYCD O95822 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
SCHEMBL240195 0.84 DHFR (0.48) CA12CA2CA9AKR1C3DHFR
SCHEMBL16249192 0.84 CA12 (0.43) PHGDHCA12CA2CA9AKR1C3
SCHEMBL28650484 0.79 CA12 (0.65) PHGDHCA12CA2CA9AKR1C3
SCHEMBL22875958 0.74 CA12 (0.56) CA12CA2CA9AKR1C3DHFR
SCHEMBL2056173 0.74 ALDH1A1 (0.57) CA12CA2CA9AKR1C3DHFR
SCHEMBL14137696 0.74 ALDH1A1 (0.41) ACHEGAAMAPTSMN1; SMN2MEN1
SCHEMBL13757013 0.72 MAPT (0.45) ACHEMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13285321 0.72 CA12 (0.56) CA12CA2CA9AKR1C3DHFR
SCHEMBL28842325 0.72 CA12 (0.56) CA12CA2CA9AKR1C3DHFR
SCHEMBL12631517 0.71 CA12 (0.53) PHGDHCA12CA2CA9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232455-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-08-20 US disclosed
US-20150158909-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-06-11 US disclosed
US-20150126747-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-05-07 US disclosed
US-20150105548-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-04-16 US disclosed
US-20150065542-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-03-05 US disclosed
US-20150031884-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2015-01-29 US disclosed
US-20140364616-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (IL) 2014-12-11 US disclosed
US-20140364617-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2014-12-11 US disclosed
US-20140343286-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2014-11-20 US disclosed
WO-2012162578-A2 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-11-29 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 (9 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-20150031884-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20140364616-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20140343286-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20150105548-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20140364617-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20150126747-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20150065542-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885
US-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PHGDH 2545/4885CA12 3463/4885CA2 4519/4885

“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.