SCHEMBL17080488

SCHEMBL17080488

C#Cc1ccc(C(C)(C)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SHBG P04278 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL4593380 0.82 CNR1 (0.48) CNR1CNR2CYP3A4SMN1; SMN2SHBG
SCHEMBL11186593 0.79 KIF11 (0.53) CNR1CNR2CA12CA2CA9
SCHEMBL201758 0.76 PTPN1 (0.47) PTPN1CYP3A4HDAC8ESR1ESR2
SCHEMBL28297150 0.75 PTPN1 (0.45) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL187807 0.75 ESR1 (0.52) CNR1CNR2CYP3A4SMN1; SMN2SHBG
SCHEMBL5181294 0.75 ESR1 (0.46) PTPN1CYP3A4SMN1; SMN2HDAC8ESR1
SCHEMBL165547 0.75 KIF11 (0.52) PTPN1SMN1; SMN2HDAC8GABRPGABRD
SCHEMBL10879927 0.75 LMNA (0.52) CNR1CNR2SMN1; SMN2SHBGESR1
SCHEMBL256227 0.73 ACACB (0.59) PTPN1
SCHEMBL8960093 0.73 PTPN1 (0.35) PTPN1HDAC8GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-01-31 US disclosed
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 US disclosed
EP-3341378-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2018-07-04 EP disclosed
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
WO-2017036968-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-03-09 WO disclosed
EP-3114126-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd (CH) 2017-01-11 EP disclosed
WO-2015132228-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-11 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 (3 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-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 PTPN1 3320/4885CNR1 719/4885CNR2 1603/4885
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES PYCR1, PSPH, RPSA PTPN1 782/4885CNR1 1821/4885CNR2 2625/4885
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CCNI, H1-0, H1-3 PTPN1 3320/4885CNR1 719/4885CNR2 1603/4885

“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.