SCHEMBL3222980

SCHEMBL3222980

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.62
GABRD O14764 1/20 0.62
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRB2 P47870 1/20 0.62
GABRA4 P48169 1/20 0.62
GABRE P78334 1/20 0.62
GABRA6 Q16445 1/20 0.62
GABRG1 Q8N1C3 1/20 0.62
GABRG3 Q99928 1/20 0.62
GABRQ Q9UN88 1/20 0.62
SLC6A4 P31645 2/20 0.61
CNR1 P21554 1/20 0.53
CDK9 P50750 3/20 0.52
CCNT1 O60563 1/20 0.52

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
SCHEMBL4878519 0.92 TDO2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8613887 0.89 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1231869 0.88 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12285689 0.88 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30567971 0.88 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL892861 0.88 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6811482 0.87 SLC6A4 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2268431 0.87 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3227179 0.87 SLC6A4 (0.65) SLC6A4DRD2HTR1ADRD4HTR2A
SCHEMBL2264033 0.85 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 WO disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
CN-101541765-A 3-piperidin-4-yl-indole ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-23 CN disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 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 (2 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 GABRP 4220/4885GABRD 4195/4885GABRA1 3912/4885
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 GABRP 366/4885GABRD 769/4885GABRA1 173/4885

“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.