SCHEMBL5633904

SCHEMBL5633904

O=C(OC1CCNCC1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
TSHR P16473 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
PMP22 Q01453 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
CHRM3 P20309 2/20 0.36
EPHX1 P07099 3/20 0.34

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
Formaldehyde SCHEMBL9696517 0.96 GABRP (0.34) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL30302228 0.88 HTR1A (0.34) GABRA1GABRA5GABRB2GABRA4HTR1A
SCHEMBL398217 0.84 GPR35 (0.34) CHRM3EPHX1
SCHEMBL14648562 0.84 GABRP (0.34) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL12058613 0.84 GABRP (0.34) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL13644335 0.81 CHRM3 (0.33) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL994468 0.81 ARG1 (0.30)
Hydrazine SCHEMBL22505628 0.80 GPR35 (0.33) CHRM3
SCHEMBL27976432 0.80 CYP19A1 (0.42) CHRM3EPHX1
SCHEMBL15995376 0.80 CYP19A1 (0.39) CHRM3EPHX1CHRM2LMNA

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
WO-2024088407-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州圣域生物医药科技有限公司 2024-05-02 WO disclosed
WO-2023185821-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-10-05 WO disclosed
CN-114728914-A Dioxopiperazine derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
CN-101478967-A Phenol derivatives for the treatment of respiratory diseases NOVARTIS AG (CH) 2009-07-08 CN disclosed
US-7186718-B2 Piperidinyl-morpholinyl derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-03-06 US disclosed
EP-1421082-B1 PIPERIDINYL-MORPHOLINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-01-11 EP disclosed
US-20040204408-A1 Piperidinyl-morpholinyl derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-10-14 US disclosed
EP-1421082-A1 NEW PIPERIDINYL-MORPHOLINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003018576-A1 NEW PIPERIDINYL-MORPHOLINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 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-20040204408-A1 Piperidinyl-morpholinyl derivatives as modulators of chemokine receptor activity CCR5, CCR2, CXCR2 GABRA1 1097/4885TSHR 743/4885GABRG2 1446/4885

“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.