SCHEMBL20139685

SCHEMBL20139685

O=C1NC[C@@H](c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.59
SLC6A2 P23975 13/20 0.59
SLC6A4 P31645 5/20 0.59
TACR1 P25103 1/20 0.41
KCNH2 Q12809 1/20 0.41
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
TSHR P16473 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
SCHEMBL20139580 1.00 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4TACR1KCNH2
SCHEMBL11111638 0.86 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4
SCHEMBL11092197 0.86 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4
SCHEMBL11095084 0.83 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4TACR1KCNH2
SCHEMBL11084872 0.74 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL20149028 0.74 KDM1A (0.45) SLC6A3SLC6A2SLC6A4TACR1KCNH2
SCHEMBL11084875 0.74 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL11084869 0.74 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL20149036 0.74 KDM1A (0.45) SLC6A3SLC6A2SLC6A4TACR1KCNH2
SCHEMBL11089310 0.71 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4

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
US-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (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-11078186-B2 ROR γ modulators RORB, RORC, RORA SLC6A3 4614/4885SLC6A2 4360/4885SLC6A4 4633/4885

“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.