SCHEMBL4881377

SCHEMBL4881377

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.63
GABRP O00591 1/20 0.60
GABRD O14764 1/20 0.60
GABRA1 P14867 1/20 0.60
GABRB1 P18505 1/20 0.60
GABRG2 P18507 1/20 0.60
GABRB3 P28472 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
GABRA4 P48169 1/20 0.60
GABRE P78334 1/20 0.60
GABRA6 Q16445 1/20 0.60
GABRG1 Q8N1C3 1/20 0.60
GABRG3 Q99928 1/20 0.60
GABRQ Q9UN88 1/20 0.60
CNR1 P21554 1/20 0.53
HTR6 P50406 1/20 0.51
JAK1 P23458 1/20 0.48

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
SCHEMBL8613887 0.86 GABRP (0.63) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL16801569 0.86 SLC6A4 (0.71) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL7850245 0.86 GABRP (0.82) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL3222980 0.85 GABRP (0.62) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL892861 0.85 GABRP (0.62) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL1231869 0.85 GABRP (0.62) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL12285689 0.85 GABRP (0.62) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL30567971 0.85 GABRP (0.62) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL6345407 0.85 SLC6A4 (0.69) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL7852403 0.84 GABRP (0.48) SLC6A4GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1598068-A1 Antipsychotic heterocycle compounds Bristol-Myers Squibb Company (US) 2005-11-23 EP disclosed
EP-1242072-A4 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2004-02-04 EP disclosed
US-6476051-B2 FOR THERAPY OF PSYCHOSIS, ACUTE MANIA, MILD ANXIETY STATES, OR DEPRESSION IN COMBINATION WITH PSYCHOTIC EPISODES BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
EP-1242072-A1 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS Bristol-Myers Squibb Company (US) 2002-09-25 EP disclosed
US-20020072611-A1 Antipsychotic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
WO-2001043740-A1 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-21 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-20020072611-A1 Antipsychotic heterocycle compounds HTR2C, DRD2, HTR1A SLC6A4 60/4885GABRP 293/4885GABRD 473/4885
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 SLC6A4 931/4885GABRP 366/4885GABRD 769/4885

“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.