Sugi Predict

Sugi Predict / Compounds / SCHEMBL3993972

SCHEMBL3993972

SCHEMBL3993972

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)[N+](C(=O)[O-])(c2ccc([N+](=O)[O-])cc2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADRA1A P35348 10/20 0.38
▸ ADRA1D P25100 8/20 0.38
▸ ADRA1B P35368 8/20 0.38
▸ HIF1A Q16665 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 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
SCHEMBL6848618 0.92 ADORA3 (0.39) ADORA3ADRA1AADRA1DADRA1BHIF1A
SCHEMBL6850188 0.88 ADORA3 (0.46) ADORA3ADRA1AADRA1DADRA1BHIF1A
SCHEMBL6712159 0.73 ADRA1A (0.46) ADORA3ADRA1AADRA1DADRA1BMCHR1
SCHEMBL6196834 0.73 ADRA1D (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7674379 0.73 ADRA1D (0.51) ADRA1AADRA1DADRA1B
SCHEMBL6713345 0.69 ALDH1A1 (0.36) ADORA3MAPTLMNAKDM1AALDH1A1
SCHEMBL6850220 0.68 PDE1C (0.38) ADORA3CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL6645152 0.68 CTDSP1 (0.58) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL7082385 0.68 CTDSP1 (0.58) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL7082388 0.68 CTDSP1 (0.58) ADRA1AADRA1DADRA1BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 — — EP disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 — — US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 — — US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 — — US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 — — US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 — — US disclosed
US-7105544-B2 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-09-12 — — US disclosed
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 — — US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 — — US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 — — US disclosed
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2006-02-23 — — US disclosed
EP-1531816-A4 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2005-12-28 — — EP disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 — — US disclosed
EP-1531816-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-05-25 — — EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 — — US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 — — US disclosed
US-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 — — US disclosed
WO-2004004714-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 — — 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 (8 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R ADORA3 55/4885ADRA1A 75/4885ADRA1D 43/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ADORA3 66/4885ADRA1A 46/4885ADRA1D 48/4885
US-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADORA3 68/4885ADRA1A 54/4885ADRA1D 45/4885
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 ADORA3 388/4885ADRA1A 47/4885ADRA1D 18/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADORA3 68/4885ADRA1A 54/4885ADRA1D 45/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R ADORA3 68/4885ADRA1A 54/4885ADRA1D 45/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADORA3 68/4885ADRA1A 54/4885ADRA1D 45/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADORA3 68/4885ADRA1A 54/4885ADRA1D 45/4885

“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.