SCHEMBL4359077

SCHEMBL4359077

O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)C(=O)Nc1ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SI P14410 1/20 0.53
▸ MGAM2 Q2M2H8 1/20 0.53
▸ AVPR1A P37288 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ IP6K1 Q92551 3/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ IP6K3 Q96PC2 1/20 0.45
▸ IP6K2 Q9UHH9 1/20 0.45
▸ CCR5 P51681 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL4359923 0.87 AVPR1A (0.58) AVPR1AHDAC1HDAC6IP6K1IP6K3
SCHEMBL4758995 0.84 AVPR1A (0.49) MGAMGAASIMGAM2AVPR1A
SCHEMBL4758993 0.79 AVPR1A (0.44) MGAMGAASIMGAM2AVPR1A
SCHEMBL3837117 0.76 IP6K1 (0.55) GAAHTTMAPTIP6K1IP6K3
SCHEMBL3256593 0.76 HRH4 (0.54) IP6K1IP6K3IP6K2DRD2DRD3
SCHEMBL3252765 0.74 HRH4 (0.58) IP6K1IP6K3IP6K2DRD3
SCHEMBL3255524 0.74 HRH4 (0.58) IP6K1IP6K3IP6K2DRD3
SCHEMBL3855796 0.74 IP6K1 (0.45) MGAMGAASIMGAM2MAPT
SCHEMBL3253910 0.73 IP6K1 (0.45) MGAMGAASIMGAM2HTT
SCHEMBL2213812 0.73 HSD11B1 (0.53) GAAMAPTTP53IP6K1IP6K3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 — — US claimed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 — — EP claimed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 — — US claimed
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 — — EP claimed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 — — US claimed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 — — US claimed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 — — WO claimed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 — — US disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 — — US disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 — — US disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 — — EP disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 — — US disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 — — US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 — — US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 — — US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 — — US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 — — US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 — — US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 — — US disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 — — 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B MGAM 4843/4885GAA 4720/4885SI 2979/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR MGAM 4883/4885GAA 4851/4885SI 3083/4885

“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.

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