SCHEMBL10104301

SCHEMBL10104301

Cc1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.54
ADRB1 P08588 1/20 0.46
PHGDH O43175 5/20 0.43
CSF1R P07333 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.41
IDH2 P48735 1/20 0.40
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.39
NR3C1 P04150 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
SCHEMBL10104300 0.91 FFAR4 (0.49) FFAR4ADRB1PHGDHCSF1RMEN1
SCHEMBL15315543 0.86 FFAR4 (0.41) FFAR4CSF1RMEN1ALDH1A1MAPT
SCHEMBL14092966 0.84 FFAR4 (0.54) FFAR4ADRB1PHGDHCSF1RMEN1
SCHEMBL10104291 0.83 FFAR4 (0.50) FFAR4ADRB1PHGDHCSF1RALDH1A1
SCHEMBL15195496 0.82 FFAR4 (0.47) FFAR4ADRB1PHGDHDPP4IDH2
SCHEMBL12398720 0.82 ADRB1 (0.53) FFAR4ADRB1PHGDHMEN1ALDH1A1
SCHEMBL16904561 0.81 ADRB1 (0.46) FFAR4ADRB1CSF1RMEN1ALDH1A1
SCHEMBL14117181 0.81 DPP4 (0.44) FFAR4ADRB1CSF1RMEN1ALDH1A1
SCHEMBL12580680 0.81 L3MBTL3 (0.50) FFAR4ADRB1ALDH1A1
SCHEMBL10104272 0.80 ADRB1 (0.51) FFAR4ADRB1PHGDHMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (4 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 FFAR4 4456/4885ADRB1 324/4885PHGDH 2462/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 FFAR4 4204/4885ADRB1 940/4885PHGDH 1990/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 FFAR4 2848/4885ADRB1 1165/4885PHGDH 696/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 FFAR4 3411/4885ADRB1 4049/4885PHGDH 1515/4885

“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.