SCHEMBL1410548

SCHEMBL1410548

CCOC(=O)CCC1CCC(c2ccc(F)c(C(F)(F)F)c2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.43
▸ KCNN4 O15554 3/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ TAS1R2 Q8TE23 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33

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
SCHEMBL1409948 0.88 SLC6A2 (0.39) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL1410431 0.85 FFAR4 (0.40) RORCPSEN1TAS1R3TAS1R1TAS1R2
SCHEMBL1410321 0.82 ALDH1A1 (0.46) RORCKCNN4PSEN1ALDH1A1
SCHEMBL1410134 0.81 ALDH1A1 (0.38) RORCKCNN4CYP11B1CYP11B2KDM4E
SCHEMBL1410365 0.80 FFAR1 (0.38) RORCKCNN4CYP11B1CYP11B2KDM4E
SCHEMBL1410140 0.80 KDM4E (0.39) RORCCYP11B1CYP11B2EPHX2KDM4E
SCHEMBL1410194 0.76 SLC6A2 (0.36) RORCKCNN4CYP11B1CYP11B2EPHX2
SCHEMBL1410641 0.76 KDM4E (0.38) RORCEPHX2KDM4EALDH1A1SLC6A2
SCHEMBL1410616 0.74 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3FFAR1
SCHEMBL1410352 0.74 KMT2A (0.41) KDM4EALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — EP 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L RORC 97/4885KCNN4 1948/4885CYP11B1 139/4885

“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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