SCHEMBL2379607

SCHEMBL2379607

CC(C)(CCCCl)N(C(=O)O)C(C)(C)CCCCl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2201895 0.78
SCHEMBL6264890 0.77 TSHR (0.32)
SCHEMBL27627305 0.70 TSHR (0.35) FFAR1CPT2TDP1
SCHEMBL1132524 0.70 ACLY (0.54) TDP1
SCHEMBL4722124 0.69 RIPK1 (0.34) TDP1
Hydrochloric Acid SCHEMBL6275324 0.68 ACLY (0.52) TDP1
SCHEMBL16403157 0.67 POLB (0.31)
SCHEMBL1979249 0.67
SCHEMBL6275321 0.65 ACLY (0.34) FFAR1CPT2TDP1
SCHEMBL1027529 0.65 KDM4E (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Method for Preparing a Spiroindoline 2011-09-22 US disclosed
US-8022213-B2 6'-Bromo-1-[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-20 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
US-20080161298-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161299-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US disclosed
EP-0533243-B1 Hydantoin and succinimide-substituted spiroindanylcamphorsulfonyl derivatives MERCK & CO INC (US) 1997-12-17 EP disclosed
EP-0533244-B1 Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists MERCK & CO INC (US) 1997-12-17 EP disclosed
US-5693643-A FOR PREVENTING PREMATAURE LABOR, STOPPING LABOR BEFORE A CESARIAN DELIVERY AND TREATING DYSMENORRHEA MERCK & CO., INC. (US) 1997-12-02 US disclosed
WO-1995009631-A1 SPIROVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-04-13 WO disclosed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO disclosed
WO-1994014438-A1 HYDANTOIN AND SUCCINIMIDE-SUBSTITUTED DERIVATIVES OF SPIROINDANYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1994-07-07 WO disclosed
US-5204349-A Treatment of preterm labor, dysmenorrhea and for stoppage of labor prior to cesarian delivery MERCK & CO., INC. (US) 1993-04-20 US disclosed
EP-0533244-A1 Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1993-03-24 EP disclosed
EP-0533243-A1 Hydantoin and succinimide-substituted spiroindanylcamphorsulfonyl derivatives MERCK & CO. INC. (US) 1993-03-24 EP disclosed
EP-0486280-A2 Piperidinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1992-05-20 EP disclosed
US-5091387-A Spirocyclic oxytocin antagonists MERCK & CO., INC. (US) 1992-02-25 US disclosed
EP-0450761-A1 Spirocyclic oxytocin antagonists MERCK & CO. INC. (US) 1991-10-09 EP disclosed
EP-0444945-A2 Use of spirocyclic compounds as oxytocin antagonists MERCK & CO. INC. (US) 1991-09-04 EP 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 (4 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 FFAR1 405/4885CPT2 2783/4885TDP1 4513/4885
US-20080161299-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 FFAR1 467/4885CPT2 3729/4885TDP1 3475/4885
US-20080161298-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 FFAR1 467/4885CPT2 3729/4885TDP1 3475/4885
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF CCR2, CXCR4, CXCR2 FFAR1 228/4885CPT2 3541/4885TDP1 4282/4885

“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.